6-tert-butyl-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-tert-butyl-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
6-tert-butyl-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K786-3328 |
| Compound Name: | 6-tert-butyl-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 475.51 |
| Molecular Formula: | C25 H28 F3 N3 O3 |
| Smiles: | CC(C)(C)c1ccc2c(c1)N(CC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1268 |
| logD: | 4.1267 |
| logSw: | -4.3801 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.721 |
| InChI Key: | GQHYWYDJPHPFTE-UHFFFAOYSA-N |