TL;DR: (Z)-methyl 2-(2-((4-(N-benzyl-N-ethylsulfamoyl)benzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate (CAS 1025667-90-6) is a chemical compound with molecular formula C27H27N3O6S2 and molecular weight 553.13416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[2-[4-[benzyl(ethyl)sulfamoyl]benzoyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetate
Also Known As: (Z)-methyl 2-(2-((4-(N-benzyl-N-ethylsulfamoyl)benzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate, F1366-1572, methyl 2-[2-[4-[benzyl(ethyl)sulfamoyl]benzoyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetate, methyl 2-[(2Z)-2-({4-[benzyl(ethyl)sulfamoyl]benzoyl}imino)-6-methoxy-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, Methyl 2-[2-[4-(benzyl-ethyl-sulfamoyl)benzoyl]imino-6-methoxy-benzothiazol-3-yl]acetate
| Molecular Formula | C27H27N3O6S2 |
| Molecular Weight | 553.13416 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 553.13416 Da |
| Heavy Atoms | 38 |
| Complexity | 954.0 |
| SMILES | CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)OC)CC(=O)OC |
| InChIKey | DMUPPCUJVSOHPP-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that (Z)-methyl 2-(2-((4-(N-benzyl-N-ethylsulfamoyl)benzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 2-(2-((4-(N-benzyl-N-ethylsulfamoyl)benzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate. Following Lipinski's Rule of Five, (Z)-methyl 2-(2-((4-(N-benzyl-N-ethylsulfamoyl)benzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (Z)-methyl 2-(2-((4-(N-benzyl-N-ethylsulfamoyl)benzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate is 1025667-90-6.
The molecular formula of (Z)-methyl 2-(2-((4-(N-benzyl-N-ethylsulfamoyl)benzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate is C27H27N3O6S2.
The molecular weight of (Z)-methyl 2-(2-((4-(N-benzyl-N-ethylsulfamoyl)benzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate is 553.13416 g/mol.
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