N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
Chemical Structure Depiction of
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
Compound characteristics
| Compound ID: | 8005-6023 |
| Compound Name: | N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine |
| Molecular Weight: | 421.79 |
| Molecular Formula: | C21 H12 Cl N3 O5 |
| Smiles: | C1Oc2cc(/C=N/c3cccc(c3)c3nc4cc(ccc4o3)[Cl])c(cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1277 |
| logD: | 5.1276 |
| logSw: | -5.8026 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.372 |
| InChI Key: | POOSPRRSQJPTOB-UHFFFAOYSA-N |