2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(2-methoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(2-methoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(2-methoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | L872-0087 |
| Compound Name: | 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(2-methoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 383.87 |
| Molecular Formula: | C17 H19 Cl F N3 O2 S |
| Smiles: | COCCN1CCC2=C(C1)C(NC(=N2)SCc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.459 |
| logD: | 2.1485 |
| logSw: | -3.3655 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.538 |
| InChI Key: | ZCWZRQYJBKXINN-UHFFFAOYSA-N |