2-[(2-oxo-2-phenylethyl)sulfanyl]-3-{[4-(propan-2-yl)phenyl]methyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[(2-oxo-2-phenylethyl)sulfanyl]-3-{[4-(propan-2-yl)phenyl]methyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
2-[(2-oxo-2-phenylethyl)sulfanyl]-3-{[4-(propan-2-yl)phenyl]methyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F399-0496 |
| Compound Name: | 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-{[4-(propan-2-yl)phenyl]methyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 485.63 |
| Molecular Formula: | C27 H23 N3 O2 S2 |
| Smiles: | CC(C)c1ccc(CN2C(=Nc3c4cccnc4sc3C2=O)SCC(c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0123 |
| logD: | 6.0123 |
| logSw: | -5.7369 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.918 |
| InChI Key: | NASRXHZXDWFPQG-UHFFFAOYSA-N |