2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(4-ethylphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(4-ethylphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(4-ethylphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0305 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(4-ethylphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C23 H21 Cl N4 O3 S |
| Smiles: | CCc1ccc(cc1)NC(C1CC(NC2=C1C(NC(=N2)SCc1cccc(c1)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3612 |
| logD: | 3.3536 |
| logSw: | -3.685 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.231 |
| InChI Key: | XHUHLHUMCUERMD-KRWDZBQOSA-N |