3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide
Chemical Structure Depiction of
3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide
3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide
Compound characteristics
| Compound ID: | Y031-8059 |
| Compound Name: | 3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide |
| Molecular Weight: | 311.27 |
| Molecular Formula: | C11 H9 N3 O6 S |
| Smiles: | C1CSC(C1NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2289 |
| logD: | 0.9231 |
| logSw: | -2.3651 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.969 |
| InChI Key: | VBEVRBJEEBBMIC-SECBINFHSA-N |