5-[(butan-2-yl)sulfanyl]-4-(4-methylbenzene-1-sulfonyl)-2-(4-methylphenyl)-1,3-oxazole
Chemical Structure Depiction of
5-[(butan-2-yl)sulfanyl]-4-(4-methylbenzene-1-sulfonyl)-2-(4-methylphenyl)-1,3-oxazole
5-[(butan-2-yl)sulfanyl]-4-(4-methylbenzene-1-sulfonyl)-2-(4-methylphenyl)-1,3-oxazole
Compound characteristics
| Compound ID: | C176-0116 |
| Compound Name: | 5-[(butan-2-yl)sulfanyl]-4-(4-methylbenzene-1-sulfonyl)-2-(4-methylphenyl)-1,3-oxazole |
| Molecular Weight: | 401.55 |
| Molecular Formula: | C21 H23 N O3 S2 |
| Smiles: | CCC(C)Sc1c(nc(c2ccc(C)cc2)o1)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3995 |
| logD: | 6.3995 |
| logSw: | -5.8335 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.94 |
| InChI Key: | KUFABSRPZVVRBI-INIZCTEOSA-N |