N-(3-chloro-4-fluorophenyl)-4,7-dioxo-2-[(prop-2-en-1-yl)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-[(prop-2-en-1-yl)sulfanyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
N-(3-chloro-4-fluorophenyl)-4,7-dioxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0170 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-4,7-dioxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 408.84 |
| Molecular Formula: | C17 H14 Cl F N4 O3 S |
| Smiles: | C=CCSC1NC(C2C(CC(NC=2N=1)=O)C(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8017 |
| logD: | 1.788 |
| logSw: | -2.9011 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.503 |
| InChI Key: | BXCWOIVRKKEQTO-SECBINFHSA-N |