N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
Chemical Structure Depiction of
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
Compound characteristics
| Compound ID: | 8005-7074 |
| Compound Name: | N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine |
| Molecular Weight: | 439.79 |
| Molecular Formula: | C21 H11 Cl F N3 O5 |
| Smiles: | C1Oc2cc(/C=N/c3ccc4c(c3)nc(c3ccc(cc3[Cl])F)o4)c(cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2503 |
| logD: | 5.2502 |
| logSw: | -5.9677 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.372 |
| InChI Key: | ZYGUDOOMVKWSOX-UHFFFAOYSA-N |