1-(2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butane-1,4-dione
Chemical Structure Depiction of
1-(2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butane-1,4-dione
1-(2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butane-1,4-dione
Compound characteristics
| Compound ID: | E015-1251 |
| Compound Name: | 1-(2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butane-1,4-dione |
| Molecular Weight: | 461.48 |
| Molecular Formula: | C24 H26 F3 N3 O3 |
| Smiles: | CC1CN(C(CCC(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)=O)c2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4887 |
| logD: | 3.4887 |
| logSw: | -3.9223 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.725 |
| InChI Key: | CYGACFCZWVYTKH-QGZVFWFLSA-N |