N-[2-(3-bromophenyl)-1,3-benzoxazol-6-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
Chemical Structure Depiction of
N-[2-(3-bromophenyl)-1,3-benzoxazol-6-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
N-[2-(3-bromophenyl)-1,3-benzoxazol-6-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
Compound characteristics
| Compound ID: | 8003-6503 |
| Compound Name: | N-[2-(3-bromophenyl)-1,3-benzoxazol-6-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine |
| Molecular Weight: | 466.25 |
| Molecular Formula: | C21 H12 Br N3 O5 |
| Smiles: | C1Oc2cc(/C=N/c3ccc4c(c3)oc(c3cccc(c3)[Br])n4)c(cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4403 |
| logD: | 5.4402 |
| logSw: | -5.9514 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.372 |
| InChI Key: | DDMTUUXBBSSVEO-UHFFFAOYSA-N |