5-methyl-N-[2-(methylsulfanyl)phenyl]-4-nitro-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
5-methyl-N-[2-(methylsulfanyl)phenyl]-4-nitro-1,2-oxazole-3-carboxamide
5-methyl-N-[2-(methylsulfanyl)phenyl]-4-nitro-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C582-0772 |
| Compound Name: | 5-methyl-N-[2-(methylsulfanyl)phenyl]-4-nitro-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 293.3 |
| Molecular Formula: | C12 H11 N3 O4 S |
| Smiles: | Cc1c(c(C(Nc2ccccc2SC)=O)no1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3441 |
| logD: | 2.34 |
| logSw: | -2.8466 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.643 |
| InChI Key: | BJCVXQDOTINHPZ-UHFFFAOYSA-N |