N-(3-chloro-2-methylphenyl)-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-2-methylphenyl)-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-2-methylphenyl)-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: | J023-0167 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-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: | 404.87 |
| Molecular Formula: | C18 H17 Cl N4 O3 S |
| Smiles: | Cc1c(cccc1[Cl])NC(C1CC(NC2=C1C(NC(=N2)SCC=C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1775 |
| logD: | 2.168 |
| logSw: | -3.0091 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.805 |
| InChI Key: | XAIHNMGAJNZZGF-SNVBAGLBSA-N |