TL;DR: 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carboxamide, 7,10-dihydro-6-(2-chlorophenyl)-1-methyl-N-(4-morpholinylsulfonyl)- (CAS 132418-64-5) is a chemical compound with molecular formula C23H24ClN7O4S2 and molecular weight 561.102 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-(2-chlorophenyl)-3-methyl-N-morpholin-4-ylsulfonyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carboxamide
Also Known As: 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carboxamide, 7,10-dihydro-6-(2-chlorophenyl)-1-methyl-N-(4-morpholinylsulfonyl)-, 6-(2-Chlorophenyl)-1-methyl-N-(morpholine-4-sulfonyl)-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-9(8H)-carboxamide
| Molecular Formula | C23H24ClN7O4S2 |
| Molecular Weight | 561.102 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 159.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 561.102 Da |
| Heavy Atoms | 37 |
| Complexity | 1010.0 |
| SMILES | CC1=NN=C2N1C3=C(C4=C(S3)CN(CC4)C(=O)NS(=O)(=O)N5CCOCC5)C(=NC2)C6=CC=CC=C6Cl |
| InChIKey | FKLMICSXIBTPHY-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carboxamide, 7,10-dihydro-6-(2-chlorophenyl)-1-methyl-N-(4-morpholinylsulfonyl)-. The TPSA of 159.0 Ų indicates high polarity, suggesting 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carboxamide, 7,10-dihydro-6-(2-chlorophenyl)-1-methyl-N-(4-morpholinylsulfonyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carboxamide, 7,10-dihydro-6-(2-chlorophenyl)-1-methyl-N-(4-morpholinylsulfonyl)- has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carboxamide, 7,10-dihydro-6-(2-chlorophenyl)-1-methyl-N-(4-morpholinylsulfonyl)- is 132418-64-5.
The molecular formula of 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carboxamide, 7,10-dihydro-6-(2-chlorophenyl)-1-methyl-N-(4-morpholinylsulfonyl)- is C23H24ClN7O4S2.
The molecular weight of 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carboxamide, 7,10-dihydro-6-(2-chlorophenyl)-1-methyl-N-(4-morpholinylsulfonyl)- is 561.102 g/mol.
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