2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C716-0880 |
| Compound Name: | 2-{[5-(4-tert-butylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide |
| Molecular Weight: | 506.04 |
| Molecular Formula: | C23 H24 Cl N3 O4 S2 |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1NC(C(=CN=1)S(c1ccc(cc1)C(C)(C)C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2032 |
| logD: | 3.5614 |
| logSw: | -5.7207 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.14 |
| InChI Key: | XEQMIJANJXPRBC-UHFFFAOYSA-N |