2-({[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl)-4,6-dinitrophenol
Chemical Structure Depiction of
2-({[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl)-4,6-dinitrophenol
2-({[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl)-4,6-dinitrophenol
Compound characteristics
| Compound ID: | 8005-1179 |
| Compound Name: | 2-({[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl)-4,6-dinitrophenol |
| Molecular Weight: | 448.39 |
| Molecular Formula: | C22 H16 N4 O7 |
| Smiles: | CCc1ccc2c(c1)nc(c1cc(ccc1O)/N=C\c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.7407 |
| logD: | 0.9134 |
| logSw: | -5.3453 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.665 |
| InChI Key: | HTOIHDNUQHVOHQ-UHFFFAOYSA-N |