N-(4-methylphenyl)-2-(methylsulfanyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(4-methylphenyl)-2-(methylsulfanyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
N-(4-methylphenyl)-2-(methylsulfanyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0004 |
| Compound Name: | N-(4-methylphenyl)-2-(methylsulfanyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C16 H16 N4 O3 S |
| Smiles: | Cc1ccc(cc1)NC(C1CC(NC2=C1C(NC(=N2)SC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8114 |
| logD: | 0.7895 |
| logSw: | -2.1802 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.503 |
| InChI Key: | YOAVPMBGHBCQGC-JTQLQIEISA-N |