2-{[5-(4-bromo-3-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-{[5-(4-bromo-3-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
2-{[5-(4-bromo-3-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | G605-0055 |
| Compound Name: | 2-{[5-(4-bromo-3-methylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 536.47 |
| Molecular Formula: | C22 H22 Br N3 O4 S2 |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1NC(C(=CN=1)S(c1ccc(c(C)c1)[Br])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.433 |
| logD: | 2.7912 |
| logSw: | -4.2331 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.14 |
| InChI Key: | PSHNSOXBBIHMKE-UHFFFAOYSA-N |