N-(2-chlorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
N-(2-chlorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0212 |
| Compound Name: | N-(2-chlorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C22 H19 Cl N4 O3 S |
| Smiles: | Cc1ccccc1CSC1NC(C2C(CC(NC=2N=1)=O)C(Nc1ccccc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9246 |
| logD: | 2.917 |
| logSw: | -3.39 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.533 |
| InChI Key: | NYSCCPZYPSMOAQ-CQSZACIVSA-N |