N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
Chemical Structure Depiction of
N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
Compound characteristics
| Compound ID: | 8005-6008 |
| Compound Name: | N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C21 H13 N3 O4 S |
| Smiles: | C1Oc2cc(/C=N/c3ccc(cc3)c3nc4ccccc4s3)c(cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1367 |
| logD: | 5.1363 |
| logSw: | -5.5748 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.011 |
| InChI Key: | RJSNIXPXJVKKDT-UHFFFAOYSA-N |