2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dioxo-N-phenyl-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dioxo-N-phenyl-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dioxo-N-phenyl-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0231 |
| Compound Name: | 2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dioxo-N-phenyl-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | Cc1cccc(CSC2NC(C3C(CC(NC=3N=2)=O)C(Nc2ccccc2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.23 |
| logD: | 2.2223 |
| logSw: | -2.8387 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.231 |
| InChI Key: | TWJJNQIGAJWRBB-INIZCTEOSA-N |