7-acetyl-3-benzyl-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-acetyl-3-benzyl-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
7-acetyl-3-benzyl-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | G641-0307 |
| Compound Name: | 7-acetyl-3-benzyl-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 514.04 |
| Molecular Formula: | C25 H21 Cl F N3 O2 S2 |
| Smiles: | CC(N1CCc2c3C(N(Cc4ccccc4)C(=Nc3sc2C1)SCc1c(cccc1[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3318 |
| logD: | 5.3318 |
| logSw: | -5.9774 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.723 |
| InChI Key: | BDYRUHAVGONQBE-UHFFFAOYSA-N |