2-ethyl-6-methyl-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-ethyl-6-methyl-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
2-ethyl-6-methyl-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K784-9845 |
| Compound Name: | 2-ethyl-6-methyl-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 461.48 |
| Molecular Formula: | C24 H26 F3 N3 O3 |
| Smiles: | CCC1C(N(CC(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)c2cc(C)ccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0886 |
| logD: | 4.0886 |
| logSw: | -4.2542 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.919 |
| InChI Key: | CGDIGTNHQXBZRK-HXUWFJFHSA-N |