1-{4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}ethan-1-one
1-{4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V003-9380 |
| Compound Name: | 1-{4-[2-methyl-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 403.4 |
| Molecular Formula: | C21 H20 F3 N3 O2 |
| Smiles: | CC(N1CCN(CC1)C1c2cc(C)ccc2Oc2ccc(cc2N=1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7566 |
| logD: | 3.058 |
| logSw: | -4.0816 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.458 |
| InChI Key: | PVEGEVGXNPEJSA-UHFFFAOYSA-N |