2-{[4-(5-tert-butyl-1,3-benzoxazol-2-yl)anilino]methyl}-6-methoxy-4-nitrophenol
Chemical Structure Depiction of
2-{[4-(5-tert-butyl-1,3-benzoxazol-2-yl)anilino]methyl}-6-methoxy-4-nitrophenol
2-{[4-(5-tert-butyl-1,3-benzoxazol-2-yl)anilino]methyl}-6-methoxy-4-nitrophenol
Compound characteristics
| Compound ID: | K630-0093 |
| Compound Name: | 2-{[4-(5-tert-butyl-1,3-benzoxazol-2-yl)anilino]methyl}-6-methoxy-4-nitrophenol |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C25 H25 N3 O5 |
| Smiles: | CC(C)(C)c1ccc2c(c1)nc(c1ccc(cc1)NCc1cc(cc(c1O)OC)[N+]([O-])=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.7425 |
| logD: | 5.4037 |
| logSw: | -5.3358 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.774 |
| InChI Key: | HGDAPRMVRIDUHS-UHFFFAOYSA-N |