2-{[5-(2,4-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]butanamide
Chemical Structure Depiction of
2-{[5-(2,4-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]butanamide
2-{[5-(2,4-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]butanamide
Compound characteristics
| Compound ID: | C716-0252 |
| Compound Name: | 2-{[5-(2,4-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]butanamide |
| Molecular Weight: | 499.65 |
| Molecular Formula: | C25 H29 N3 O4 S2 |
| Smiles: | CCC(C(Nc1ccc(cc1)C(C)C)=O)SC1NC(C(=CN=1)S(c1ccc(C)cc1C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.267 |
| logD: | 4.055 |
| logSw: | -5.0057 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.354 |
| InChI Key: | MTGNVJWFHZFZNB-FQEVSTJZSA-N |