2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
Chemical Structure Depiction of
2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
Compound characteristics
| Compound ID: | 8001-9172 |
| Compound Name: | 2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol |
| Molecular Weight: | 415.45 |
| Molecular Formula: | C24 H21 N3 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nc2cc(ccc2o1)/N=C/c1cccc(c1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.5589 |
| logD: | 4.679 |
| logSw: | -5.6779 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.736 |
| InChI Key: | JSAAPKCVCYEOAQ-UHFFFAOYSA-N |