4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V021-6913 |
| Compound Name: | 4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide |
| Molecular Weight: | 524.54 |
| Molecular Formula: | C28 H27 F3 N4 O3 |
| Smiles: | Cc1cccc(CNC(N2CCN(CC2)C2c3cc(ccc3Oc3ccc(cc3N=2)C(F)(F)F)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2909 |
| logD: | 4.1054 |
| logSw: | -5.4193 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.405 |
| InChI Key: | HJJNKBAUFMVDPA-UHFFFAOYSA-N |