1-{4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}-N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)methanimine
Chemical Structure Depiction of
1-{4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}-N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)methanimine
1-{4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}-N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)methanimine
Compound characteristics
| Compound ID: | 8008-8593 |
| Compound Name: | 1-{4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}-N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)methanimine |
| Molecular Weight: | 626.84 |
| Molecular Formula: | C32 H26 N4 O2 S4 |
| Smiles: | CC(C)(C)c1ccc(CSc2nc3ccc(cc3s2)/N=C/c2ccc(c(c2)[N+]([O-])=O)Sc2nc3ccccc3s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 10.5565 |
| logD: | 10.5565 |
| logSw: | -5.7418 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.066 |
| InChI Key: | SCPJXDJXGXWXMX-UHFFFAOYSA-N |