Oprea1_850625
4-[(4-chlorophenyl)methylsulfanyl]-11,13-dimethyl-N-propan-2-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
Also Known As: Oprea1_850625|KS-00003BY1|6R-1318|N-{2-[(4-chlorobenzyl)sulfanyl]-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl}-N-isopropylamine|4-[(4-chlorophenyl)methylsulfanyl]-11,13-dimethyl-N-propan-2-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine|4-{[(4-chlorophenyl)methyl]sulfanyl}-11,13-dimethyl-N-(propan-2-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-amine
| Molecular Formula | C21H21ClN4S2 |
|---|---|
| Molecular Weight | 428.08963 g/mol |
| LogP | 6.62234 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.08963 |
| Monoisotopic Mass | 428.08963 |
| Heavy Atoms | 28 |
| Complexity | 1152.9578 |
Chemical Identifiers
| CAS Number | 478065-75-7 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C3=C(S2)C(=NC(=N3)SCC4=CC=C(C=C4)Cl)NC(C)C)C |
Product Overview
Oprea1_850625 (CAS 478065-75-7), with molecular formula C21H21ClN4S2 and molecular weight 428.08963 g/mol. IUPAC: 4-[(4-chlorophenyl)methylsulfanyl]-11,13-dimethyl-N-propan-2-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine.