2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C716-0613 |
| Compound Name: | 2-{[5-(4-bromobenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 526.45 |
| Molecular Formula: | C19 H16 Br N3 O4 S3 |
| Smiles: | CSc1cccc(c1)NC(CSC1NC(C(=CN=1)S(c1ccc(cc1)[Br])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3133 |
| logD: | 1.6716 |
| logSw: | -3.7654 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.14 |
| InChI Key: | KXRLMIBXRCLYCT-UHFFFAOYSA-N |