2-({[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-chloro-6-nitrophenol
Chemical Structure Depiction of
2-({[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-chloro-6-nitrophenol
2-({[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-chloro-6-nitrophenol
Compound characteristics
| Compound ID: | 0781-3024 |
| Compound Name: | 2-({[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-chloro-6-nitrophenol |
| Molecular Weight: | 486.71 |
| Molecular Formula: | C21 H13 Br Cl N3 O4 |
| Smiles: | Cc1ccc(cc1[Br])c1nc2cc(ccc2o1)/N=C/c1cc(cc(c1O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.5339 |
| logD: | 4.3108 |
| logSw: | -6.1135 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.736 |
| InChI Key: | ZRDQUUONZPXAQI-UHFFFAOYSA-N |