4-(6-tert-butyl-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid
Chemical Structure Depiction of
4-(6-tert-butyl-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid
4-(6-tert-butyl-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid
Compound characteristics
| Compound ID: | 6718-0076 |
| Compound Name: | 4-(6-tert-butyl-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid |
| Molecular Weight: | 311.38 |
| Molecular Formula: | C19 H21 N O3 |
| Smiles: | CC(C)(C)c1ccc2c(CN(CO2)c2ccc(cc2)C(O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2674 |
| logD: | 2.8722 |
| logSw: | -5.0896 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.951 |
| InChI Key: | BZGLGFLKKQLRJT-UHFFFAOYSA-N |