2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]imino}methyl)-4-chloro-6-nitrophenol
Chemical Structure Depiction of
2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]imino}methyl)-4-chloro-6-nitrophenol
2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]imino}methyl)-4-chloro-6-nitrophenol
Compound characteristics
| Compound ID: | 8004-4203 |
| Compound Name: | 2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]imino}methyl)-4-chloro-6-nitrophenol |
| Molecular Weight: | 449.89 |
| Molecular Formula: | C24 H20 Cl N3 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nc2ccc(cc2o1)/N=C/c1cc(cc(c1O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.2353 |
| logD: | 5.0122 |
| logSw: | -6.2028 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.736 |
| InChI Key: | GVVBSPGXGWDGDP-UHFFFAOYSA-N |