2-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazine-1-sulfonyl}benzonitrile
Chemical Structure Depiction of
2-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazine-1-sulfonyl}benzonitrile
2-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazine-1-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | V021-6861 |
| Compound Name: | 2-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazine-1-sulfonyl}benzonitrile |
| Molecular Weight: | 542.54 |
| Molecular Formula: | C26 H21 F3 N4 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc2c(c1)C(=Nc1cc(ccc1O2)C(F)(F)F)N1CCN(CC1)S(c1ccccc1C#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5573 |
| logD: | 2.7447 |
| logSw: | -4.4157 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.381 |
| InChI Key: | IEOONPNUFCWDRS-UHFFFAOYSA-N |