N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
Chemical Structure Depiction of
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
Compound characteristics
| Compound ID: | 8005-6006 |
| Compound Name: | N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine |
| Molecular Weight: | 401.38 |
| Molecular Formula: | C22 H15 N3 O5 |
| Smiles: | Cc1ccc2c(c1)nc(c1cccc(c1)/N=C/c1cc3c(cc1[N+]([O-])=O)OCO3)o2 |
| Stereo: | ACHIRAL |
| logP: | 4.9077 |
| logD: | 4.9076 |
| logSw: | -4.764 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.372 |
| InChI Key: | VXFMNDLKDUXZJF-UHFFFAOYSA-N |