N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]-1-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methanimine
Chemical Structure Depiction of
N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]-1-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methanimine
N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]-1-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methanimine
Compound characteristics
| Compound ID: | 8007-2906 |
| Compound Name: | N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]-1-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methanimine |
| Molecular Weight: | 539.63 |
| Molecular Formula: | C22 H13 N5 O4 S4 |
| Smiles: | CSc1nc2ccc(cc2s1)/N=C/c1ccc(c(c1)[N+]([O-])=O)Sc1nc2ccc(cc2s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 7.4712 |
| logD: | 7.4712 |
| logSw: | -5.8117 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 92.719 |
| InChI Key: | PLPFOTCRMXNMCB-UHFFFAOYSA-N |