N-(3-chloro-4-fluorophenyl)-4,7-dioxo-2-[(2-phenylethyl)sulfanyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-4,7-dioxo-2-[(2-phenylethyl)sulfanyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
N-(3-chloro-4-fluorophenyl)-4,7-dioxo-2-[(2-phenylethyl)sulfanyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0141 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-4,7-dioxo-2-[(2-phenylethyl)sulfanyl]-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: | C(CSC1NC(C2C(CC(NC=2N=1)=O)C(Nc1ccc(c(c1)[Cl])F)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0352 |
| logD: | 3.0125 |
| logSw: | -3.5509 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.231 |
| InChI Key: | QMVZXOUBRPBJFP-CQSZACIVSA-N |