N-(5-chloro-2-methylphenyl)-2-{[5-(4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-{[5-(4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}butanamide
N-(5-chloro-2-methylphenyl)-2-{[5-(4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | C716-0100 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-{[5-(4-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}butanamide |
| Molecular Weight: | 492.01 |
| Molecular Formula: | C22 H22 Cl N3 O4 S2 |
| Smiles: | CCC(C(Nc1cc(ccc1C)[Cl])=O)SC1NC(C(=CN=1)S(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2679 |
| logD: | 3.0558 |
| logSw: | -4.4881 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.656 |
| InChI Key: | VALZTCYMZAITHS-SFHVURJKSA-N |