4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V021-6892 |
| Compound Name: | 4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 578.51 |
| Molecular Formula: | C28 H24 F6 N4 O3 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(Nc1cccc(c1)C(F)(F)F)=O)C1c2cc(ccc2Oc2ccc(cc2N=1)C(F)(F)F)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4067 |
| logD: | 5.4745 |
| logSw: | -5.7731 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.301 |
| InChI Key: | LMWUELKXRNNWNS-INIZCTEOSA-N |