N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
Chemical Structure Depiction of
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
Compound characteristics
| Compound ID: | 8004-0831 |
| Compound Name: | N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine |
| Molecular Weight: | 415.4 |
| Molecular Formula: | C23 H17 N3 O5 |
| Smiles: | Cc1cc2c(cc1C)oc(c1ccc(cc1)/N=C/c1cc3c(cc1[N+]([O-])=O)OCO3)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.4297 |
| logD: | 5.4293 |
| logSw: | -5.4974 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.372 |
| InChI Key: | XFAYXDDJRXZSOL-UHFFFAOYSA-N |