1-{4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}-N-(4H-1,2,4-triazol-4-yl)methanimine
Chemical Structure Depiction of
1-{4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}-N-(4H-1,2,4-triazol-4-yl)methanimine
1-{4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}-N-(4H-1,2,4-triazol-4-yl)methanimine
Compound characteristics
| Compound ID: | 8007-1058 |
| Compound Name: | 1-{4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}-N-(4H-1,2,4-triazol-4-yl)methanimine |
| Molecular Weight: | 382.42 |
| Molecular Formula: | C16 H10 N6 O2 S2 |
| Smiles: | C(\c1ccc(c(c1)[N+]([O-])=O)Sc1nc2ccccc2s1)=N/n1cnnc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8026 |
| logD: | 3.8026 |
| logSw: | -4.1768 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.097 |
| InChI Key: | VSSKTYUWPCSCEB-UHFFFAOYSA-N |