2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | L872-0196 |
| Compound Name: | 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 445.94 |
| Molecular Formula: | C22 H21 Cl F N3 O2 S |
| Smiles: | COc1ccc(CN2CCC3=C(C2)C(NC(=N3)SCc2c(cccc2[Cl])F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8667 |
| logD: | 3.6311 |
| logSw: | -4.3301 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.489 |
| InChI Key: | CTJALBSIEYEDAY-UHFFFAOYSA-N |