4-chloro-2-({[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
Chemical Structure Depiction of
4-chloro-2-({[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
4-chloro-2-({[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
Compound characteristics
| Compound ID: | 8002-1307 |
| Compound Name: | 4-chloro-2-({[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol |
| Molecular Weight: | 423.81 |
| Molecular Formula: | C21 H14 Cl N3 O5 |
| Smiles: | COc1ccc(cc1)c1nc2cc(ccc2o1)/N=C/c1cc(cc(c1O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3836 |
| logD: | 3.1605 |
| logSw: | -5.7132 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.28 |
| InChI Key: | HXTQAKTUHNYMGR-UHFFFAOYSA-N |