N-(3,4-dimethylphenyl)-1-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methanimine
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-1-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methanimine
N-(3,4-dimethylphenyl)-1-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methanimine
Compound characteristics
| Compound ID: | 8007-1913 |
| Compound Name: | N-(3,4-dimethylphenyl)-1-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methanimine |
| Molecular Weight: | 464.52 |
| Molecular Formula: | C22 H16 N4 O4 S2 |
| Smiles: | Cc1ccc(cc1C)/N=C/c1ccc(c(c1)[N+]([O-])=O)Sc1nc2ccc(cc2s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 7.3923 |
| logD: | 7.3922 |
| logSw: | -5.8227 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.638 |
| InChI Key: | MEIALYGSKNAMTB-UHFFFAOYSA-N |