2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | L872-0108 |
| Compound Name: | 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 367.87 |
| Molecular Formula: | C17 H19 Cl F N3 O S |
| Smiles: | CCCN1CCC2=C(C1)C(NC(=N2)SCc1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1748 |
| logD: | 2.9184 |
| logSw: | -3.5764 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.196 |
| InChI Key: | VJYHBPPXSMGGLS-UHFFFAOYSA-N |