N-[2-(methylsulfanyl)phenyl]-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-[2-(methylsulfanyl)phenyl]-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
N-[2-(methylsulfanyl)phenyl]-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C582-0880 |
| Compound Name: | N-[2-(methylsulfanyl)phenyl]-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 321.35 |
| Molecular Formula: | C14 H15 N3 O4 S |
| Smiles: | CC(C)c1c(c(C(Nc2ccccc2SC)=O)no1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3266 |
| logD: | 3.3225 |
| logSw: | -3.8024 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.222 |
| InChI Key: | YHXLMPZAFASLAL-UHFFFAOYSA-N |