N-(3-chloro-4-methylphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
N-(3-chloro-4-methylphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0342 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 472.92 |
| Molecular Formula: | C22 H18 Cl F N4 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(C1CC(NC2=C1C(NC(=N2)SCc1ccccc1F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4519 |
| logD: | 3.4443 |
| logSw: | -3.8522 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.231 |
| InChI Key: | VAGLAWFRXGHBRJ-CQSZACIVSA-N |