N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
Chemical Structure Depiction of
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
Compound characteristics
| Compound ID: | 8005-6822 |
| Compound Name: | N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine |
| Molecular Weight: | 415.4 |
| Molecular Formula: | C23 H17 N3 O5 |
| Smiles: | Cc1ccc(cc1C)c1nc2cc(ccc2o1)/N=C/c1cc2c(cc1[N+]([O-])=O)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.5378 |
| logD: | 5.5377 |
| logSw: | -5.5099 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.372 |
| InChI Key: | MYJKXJCZJWCBNU-UHFFFAOYSA-N |