ethyl 7-oxo-7-[3-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-(trifluoromethyl)anilino]heptanoate
Chemical Structure Depiction of
ethyl 7-oxo-7-[3-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-(trifluoromethyl)anilino]heptanoate
ethyl 7-oxo-7-[3-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-(trifluoromethyl)anilino]heptanoate
Compound characteristics
| Compound ID: | V007-3284 |
| Compound Name: | ethyl 7-oxo-7-[3-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-(trifluoromethyl)anilino]heptanoate |
| Molecular Weight: | 452.47 |
| Molecular Formula: | C23 H27 F3 N2 O4 |
| Smiles: | CCOC(CCCCCC(Nc1cc(cc(c1)C(F)(F)F)c1c2CCCCc2no1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5854 |
| logD: | 5.5854 |
| logSw: | -5.1569 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.736 |
| InChI Key: | QZCVCBXYHDLJCE-UHFFFAOYSA-N |