N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
Chemical Structure Depiction of
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
Compound characteristics
| Compound ID: | 8004-4658 |
| Compound Name: | N-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine |
| Molecular Weight: | 417.38 |
| Molecular Formula: | C22 H15 N3 O6 |
| Smiles: | COc1ccc(cc1)c1nc2ccc(cc2o1)/N=C/c1cc2c(cc1[N+]([O-])=O)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.6541 |
| logD: | 4.6539 |
| logSw: | -4.5679 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.916 |
| InChI Key: | VRHYKYAVVWPOFQ-UHFFFAOYSA-N |