2-{[4-(4-bromobenzene-1-sulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(4-bromobenzene-1-sulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
2-{[4-(4-bromobenzene-1-sulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | C176-0345 |
| Compound Name: | 2-{[4-(4-bromobenzene-1-sulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one |
| Molecular Weight: | 554.89 |
| Molecular Formula: | C21 H13 Br Cl N O4 S3 |
| Smiles: | C(C(c1ccc(cc1)[Cl])=O)Sc1c(nc(c2cccs2)o1)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5642 |
| logD: | 6.5642 |
| logSw: | -6.5384 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.934 |
| InChI Key: | ADZDWKKQBGLVGW-UHFFFAOYSA-N |