3-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazine-1-carbonyl}benzonitrile
3-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | V005-5058 |
| Compound Name: | 3-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazine-1-carbonyl}benzonitrile |
| Molecular Weight: | 520.51 |
| Molecular Formula: | C28 H23 F3 N4 O3 |
| Smiles: | CC1CN(CCN1C(c1cccc(C#N)c1)=O)C1c2cc(ccc2Oc2ccc(cc2N=1)C(F)(F)F)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.737 |
| logD: | 3.8048 |
| logSw: | -4.5741 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.536 |
| InChI Key: | ASWWPEGCLKBRAH-KRWDZBQOSA-N |