4-(4-methylbenzene-1-sulfonyl)-5-[(2-methylpropyl)sulfanyl]-2-phenyl-1,3-oxazole
Chemical Structure Depiction of
4-(4-methylbenzene-1-sulfonyl)-5-[(2-methylpropyl)sulfanyl]-2-phenyl-1,3-oxazole
4-(4-methylbenzene-1-sulfonyl)-5-[(2-methylpropyl)sulfanyl]-2-phenyl-1,3-oxazole
Compound characteristics
| Compound ID: | C176-0035 |
| Compound Name: | 4-(4-methylbenzene-1-sulfonyl)-5-[(2-methylpropyl)sulfanyl]-2-phenyl-1,3-oxazole |
| Molecular Weight: | 387.52 |
| Molecular Formula: | C20 H21 N O3 S2 |
| Smiles: | CC(C)CSc1c(nc(c2ccccc2)o1)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8274 |
| logD: | 5.8274 |
| logSw: | -5.6953 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.94 |
| InChI Key: | IATBMEDPBQNKAM-UHFFFAOYSA-N |