2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide
Chemical Structure Depiction of
2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide
2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide
Compound characteristics
| Compound ID: | Y031-8153 |
| Compound Name: | 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide |
| Molecular Weight: | 280.3 |
| Molecular Formula: | C12 H12 N2 O4 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(NC1CCSC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8135 |
| logD: | 1.5077 |
| logSw: | -2.7111 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.286 |
| InChI Key: | DEQRGPSFELFOPP-SECBINFHSA-N |