3-[(2H-1,3-benzodioxol-5-yl)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-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)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: | F399-0337 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)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: | 542.63 |
| Molecular Formula: | C28 H22 N4 O4 S2 |
| Smiles: | C1CC(N(C1)c1ccc(CSC2=Nc3c4cccnc4sc3C(N2Cc2ccc3c(c2)OCO3)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6345 |
| logD: | 4.6344 |
| logSw: | -4.6418 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.603 |
| InChI Key: | ZXLIZIKOASJDRT-UHFFFAOYSA-N |