2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | L872-0130 |
| Compound Name: | 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 397.9 |
| Molecular Formula: | C18 H21 Cl F N3 O2 S |
| Smiles: | COCCCN1CCC2=C(C1)C(NC(=N2)SCc1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6228 |
| logD: | 2.3793 |
| logSw: | -3.4402 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.538 |
| InChI Key: | ZHXYXCWCYFSUCM-UHFFFAOYSA-N |