2-{[2-nitro-4-({2-[4-nitro-2-(4-phenylpiperidine-1-sulfonyl)phenyl]hydrazinylidene}methyl)phenyl]sulfanyl}-1,3-benzothiazole
Chemical Structure Depiction of
2-{[2-nitro-4-({2-[4-nitro-2-(4-phenylpiperidine-1-sulfonyl)phenyl]hydrazinylidene}methyl)phenyl]sulfanyl}-1,3-benzothiazole
2-{[2-nitro-4-({2-[4-nitro-2-(4-phenylpiperidine-1-sulfonyl)phenyl]hydrazinylidene}methyl)phenyl]sulfanyl}-1,3-benzothiazole
Compound characteristics
| Compound ID: | 8010-4327 |
| Compound Name: | 2-{[2-nitro-4-({2-[4-nitro-2-(4-phenylpiperidine-1-sulfonyl)phenyl]hydrazinylidene}methyl)phenyl]sulfanyl}-1,3-benzothiazole |
| Molecular Weight: | 674.78 |
| Molecular Formula: | C31 H26 N6 O6 S3 |
| Smiles: | C1CN(CCC1c1ccccc1)S(c1cc(ccc1N/N=C/c1ccc(c(c1)[N+]([O-])=O)Sc1nc2ccccc2s1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.7784 |
| logD: | 8.7783 |
| logSw: | -6.2353 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 127.389 |
| InChI Key: | YUWXBJBTLMJOCC-UHFFFAOYSA-N |