ethyl 3-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-3-(3-nitrophenyl)propanoate
Chemical Structure Depiction of
ethyl 3-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-3-(3-nitrophenyl)propanoate
ethyl 3-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-3-(3-nitrophenyl)propanoate
Compound characteristics
| Compound ID: | 8013-1615 |
| Compound Name: | ethyl 3-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-3-(3-nitrophenyl)propanoate |
| Molecular Weight: | 436.46 |
| Molecular Formula: | C17 H16 N4 O6 S2 |
| Smiles: | CCOC(CC(c1cccc(c1)[N+]([O-])=O)NS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9831 |
| logD: | 2.9619 |
| logSw: | -3.4513 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.334 |
| InChI Key: | PFFXZYLXISIBFW-AWEZNQCLSA-N |