3-[(2-chlorophenyl)methyl]-2-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-2-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-[(2-chlorophenyl)methyl]-2-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F399-0221 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-2-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 533.07 |
| Molecular Formula: | C27 H21 Cl N4 O2 S2 |
| Smiles: | C1CC(N(C1)c1ccc(CSC2=Nc3c4cccnc4sc3C(N2Cc2ccccc2[Cl])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2472 |
| logD: | 5.2472 |
| logSw: | -5.7218 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.488 |
| InChI Key: | RQSHCUAGDKKUKN-UHFFFAOYSA-N |