4-benzyl-2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino}methyl)-6-nitrophenol
Chemical Structure Depiction of
4-benzyl-2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino}methyl)-6-nitrophenol
4-benzyl-2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino}methyl)-6-nitrophenol
Compound characteristics
| Compound ID: | K630-0098 |
| Compound Name: | 4-benzyl-2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino}methyl)-6-nitrophenol |
| Molecular Weight: | 507.59 |
| Molecular Formula: | C31 H29 N3 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nc2cc(ccc2o1)NCc1cc(Cc2ccccc2)cc(c1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 8.369 |
| logD: | 8.1913 |
| logSw: | -5.6625 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.571 |
| InChI Key: | DWLFJYOQHDDLBF-UHFFFAOYSA-N |