3-{[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
3-{[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate
3-{[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 3229-0975 |
| Compound Name: | 3-{[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 463.43 |
| Molecular Formula: | C21 H13 N5 O6 S |
| Smiles: | C(\c1cccc(c1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=N/Nc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2421 |
| logD: | 5.2386 |
| logSw: | -5.4923 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.278 |
| InChI Key: | MXLMAJHEEJMFOJ-UHFFFAOYSA-N |