sodium--3-[2-{[(3-nitrophenyl)methylidene]hydrazinylidene}-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate (1/1)
Chemical Structure Depiction of
sodium--3-[2-{[(3-nitrophenyl)methylidene]hydrazinylidene}-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate (1/1)
sodium--3-[2-{[(3-nitrophenyl)methylidene]hydrazinylidene}-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate (1/1)
Compound characteristics
| Compound ID: | 8004-3862 |
| Compound Name: | sodium--3-[2-{[(3-nitrophenyl)methylidene]hydrazinylidene}-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate (1/1) |
| Molecular Weight: | 442.45 |
| Molecular Formula: | C17 H15 N4 O5 S2 |
| Salt: | Na+ |
| Smiles: | C(CN1/C(=N/N=C\c2cccc(c2)[N+]([O-])=O)Sc2ccccc12)CS([O-])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8834 |
| logD: | 1.8834 |
| logSw: | -2.5082 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 99.037 |
| InChI Key: | HEDOTVDDPGZFIU-AQHVKWFBSA-M |