2-{[4-(4-methylbenzene-1-sulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[4-(4-methylbenzene-1-sulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]sulfanyl}-1-phenylethan-1-one
2-{[4-(4-methylbenzene-1-sulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | C176-0277 |
| Compound Name: | 2-{[4-(4-methylbenzene-1-sulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 455.57 |
| Molecular Formula: | C22 H17 N O4 S3 |
| Smiles: | Cc1ccc(cc1)S(c1c(oc(c2cccs2)n1)SCC(c1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4539 |
| logD: | 5.4539 |
| logSw: | -5.4917 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.934 |
| InChI Key: | XQTSNUMDEAIBOE-UHFFFAOYSA-N |