ethyl {2-nitro-4-[(propan-2-yl)carbamoyl]benzene-1-sulfonyl}acetate
Chemical Structure Depiction of
ethyl {2-nitro-4-[(propan-2-yl)carbamoyl]benzene-1-sulfonyl}acetate
ethyl {2-nitro-4-[(propan-2-yl)carbamoyl]benzene-1-sulfonyl}acetate
Compound characteristics
| Compound ID: | K781-9602 |
| Compound Name: | ethyl {2-nitro-4-[(propan-2-yl)carbamoyl]benzene-1-sulfonyl}acetate |
| Molecular Weight: | 358.37 |
| Molecular Formula: | C14 H18 N2 O7 S |
| Smiles: | CCOC(CS(c1ccc(cc1[N+]([O-])=O)C(NC(C)C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5696 |
| logD: | 1.5696 |
| logSw: | -2.5937 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.173 |
| InChI Key: | HZVGBPZLDYDJTN-UHFFFAOYSA-N |