1-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-N-[4-(pentyloxy)phenyl]methanimine
Chemical Structure Depiction of
1-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-N-[4-(pentyloxy)phenyl]methanimine
1-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-N-[4-(pentyloxy)phenyl]methanimine
Compound characteristics
| Compound ID: | 8007-2732 |
| Compound Name: | 1-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-N-[4-(pentyloxy)phenyl]methanimine |
| Molecular Weight: | 522.6 |
| Molecular Formula: | C25 H22 N4 O5 S2 |
| Smiles: | CCCCCOc1ccc(cc1)/N=C/c1ccc(c(c1)[N+]([O-])=O)Sc1nc2ccc(cc2s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 8.2368 |
| logD: | 8.2368 |
| logSw: | -5.6357 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.056 |
| InChI Key: | GXPZIHQWMRTHSF-UHFFFAOYSA-N |