1-(6-chloro-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-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butane-1,4-dione
1-(6-chloro-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: | E015-0035 |
| Compound Name: | 1-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butane-1,4-dione |
| Molecular Weight: | 481.9 |
| Molecular Formula: | C23 H23 Cl F3 N3 O3 |
| Smiles: | C(CC(N1CCOc2ccc(cc12)[Cl])=O)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7056 |
| logD: | 3.7056 |
| logSw: | -4.279 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.628 |
| InChI Key: | DBESCKWIQYTVNE-UHFFFAOYSA-N |