N-(4-chlorophenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
N-(4-chlorophenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0357 |
| Compound Name: | N-(4-chlorophenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 458.9 |
| Molecular Formula: | C21 H16 Cl F N4 O3 S |
| Smiles: | C1C(C2=C(NC1=O)N=C(NC2=O)SCc1ccc(cc1)F)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1213 |
| logD: | 2.1137 |
| logSw: | -3.0725 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.231 |
| InChI Key: | YFJVUODQAGSMOK-OAHLLOKOSA-N |