2-[(2-nitro-4-{[2-(4-nitrophenyl)hydrazinylidene]methyl}phenyl)sulfanyl]-1,3-benzothiazole
Chemical Structure Depiction of
2-[(2-nitro-4-{[2-(4-nitrophenyl)hydrazinylidene]methyl}phenyl)sulfanyl]-1,3-benzothiazole
2-[(2-nitro-4-{[2-(4-nitrophenyl)hydrazinylidene]methyl}phenyl)sulfanyl]-1,3-benzothiazole
Compound characteristics
| Compound ID: | 8005-9650 |
| Compound Name: | 2-[(2-nitro-4-{[2-(4-nitrophenyl)hydrazinylidene]methyl}phenyl)sulfanyl]-1,3-benzothiazole |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C20 H13 N5 O4 S2 |
| Smiles: | C(\c1ccc(c(c1)[N+]([O-])=O)Sc1nc2ccccc2s1)=N/Nc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.6223 |
| logD: | 6.6223 |
| logSw: | -6.2429 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.647 |
| InChI Key: | MNLSRZBXHOWSPN-UHFFFAOYSA-N |