ethyl 2-(3,5-dinitrobenzamido)-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
ethyl 2-(3,5-dinitrobenzamido)-1,3-benzothiazole-6-carboxylate
ethyl 2-(3,5-dinitrobenzamido)-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | 1127-1178 |
| Compound Name: | ethyl 2-(3,5-dinitrobenzamido)-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 416.37 |
| Molecular Formula: | C17 H12 N4 O7 S |
| Smiles: | CCOC(c1ccc2c(c1)sc(NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4509 |
| logD: | 4.1551 |
| logSw: | -4.3202 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.608 |
| InChI Key: | VAWMFDLSUTUYOA-UHFFFAOYSA-N |