N-(2-methoxy-4-nitrophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-(2-methoxy-4-nitrophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-(2-methoxy-4-nitrophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C114-0064 |
| Compound Name: | N-(2-methoxy-4-nitrophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 391.36 |
| Molecular Formula: | C16 H13 N3 O7 S |
| Smiles: | COc1cc(ccc1NC(CN1C(c2ccccc2S1(=O)=O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3003 |
| logD: | 1.2775 |
| logSw: | -2.6562 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.647 |
| InChI Key: | ASXWMADQFXKQRM-UHFFFAOYSA-N |