2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F399-0197 |
| Compound Name: | 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 498 |
| Molecular Formula: | C24 H17 Cl F N3 O2 S2 |
| Smiles: | COc1ccc(CN2C(=Nc3c4cccnc4sc3C2=O)SCc2ccc(cc2[Cl])F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1361 |
| logD: | 6.1361 |
| logSw: | -6.2298 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.215 |
| InChI Key: | BDQBOBIRTWLCTH-UHFFFAOYSA-N |