2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | L872-0175 |
| Compound Name: | 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 433.91 |
| Molecular Formula: | C21 H18 Cl F2 N3 O S |
| Smiles: | C1CN(CC2=C1N=C(NC2=O)SCc1ccc(cc1[Cl])F)Cc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.064 |
| logD: | 3.7535 |
| logSw: | -4.3924 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.946 |
| InChI Key: | DQKGXUIHCJWLOW-UHFFFAOYSA-N |