2-({[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-methoxy-4-nitrophenol
Chemical Structure Depiction of
2-({[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-methoxy-4-nitrophenol
2-({[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-methoxy-4-nitrophenol
Compound characteristics
| Compound ID: | 1141-0096 |
| Compound Name: | 2-({[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-methoxy-4-nitrophenol |
| Molecular Weight: | 445.47 |
| Molecular Formula: | C25 H23 N3 O5 |
| Smiles: | CC(C)(C)c1ccc2c(c1)nc(c1ccc(cc1)/N=C/c1cc(cc(c1O)OC)[N+]([O-])=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.8076 |
| logD: | 3.6408 |
| logSw: | -5.429 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.667 |
| InChI Key: | VRWGWKFWTGOBJS-UHFFFAOYSA-N |