CBMicro_033097
4-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-11-propan-2-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: CBMicro_033097|Oprea1_616087|BIM-0032972.P001|3-benzyl-2-((4-chlorobenzyl)thio)-7-isopropyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one|3-benzyl-2-[(4-chlorobenzyl)sulfanyl]-7-(propan-2-yl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one|3-BENZYL-2-[(4-CHLOROBENZYL)SULFANYL]-7-ISOPROPYL-5,6,7,8-TETRAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE|3-benzyl-2-[(4-chlorophenyl)methylsulfanyl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C26H26ClN3OS2 |
|---|---|
| Molecular Weight | 495.12057 g/mol |
| LogP | 6.2185 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.12057 |
| Monoisotopic Mass | 495.12057 |
| Heavy Atoms | 33 |
| Complexity | 1329.9086 |
Chemical Identifiers
| CAS Number | 351007-17-5 |
|---|---|
| SMILES | CC(C)N1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)Cl)CC5=CC=CC=C5 |
Product Overview
CBMicro_033097 (CAS 351007-17-5), with molecular formula C26H26ClN3OS2 and molecular weight 495.12057 g/mol. IUPAC: 4-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-11-propan-2-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.