N-(2,5-dimethylphenyl)-4,7-dioxo-2-[(2-phenylethyl)sulfanyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-4,7-dioxo-2-[(2-phenylethyl)sulfanyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
N-(2,5-dimethylphenyl)-4,7-dioxo-2-[(2-phenylethyl)sulfanyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0394 |
| Compound Name: | N-(2,5-dimethylphenyl)-4,7-dioxo-2-[(2-phenylethyl)sulfanyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C24 H24 N4 O3 S |
| Smiles: | Cc1ccc(C)c(c1)NC(C1CC(NC2=C1C(NC(=N2)SCCc1ccccc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6448 |
| logD: | 2.6222 |
| logSw: | -3.0625 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.533 |
| InChI Key: | XNMFNTFXEQWNRI-KRWDZBQOSA-N |