2-{4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazine-1-sulfonyl}benzonitrile
Chemical Structure Depiction of
2-{4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazine-1-sulfonyl}benzonitrile
2-{4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazine-1-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | V021-2013 |
| Compound Name: | 2-{4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazine-1-sulfonyl}benzonitrile |
| Molecular Weight: | 512.51 |
| Molecular Formula: | C25 H19 F3 N4 O3 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C1c2ccccc2Oc2cc(ccc2N=1)C(F)(F)F)S(c1ccccc1C#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4993 |
| logD: | 3.1923 |
| logSw: | -4.4853 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.837 |
| InChI Key: | DTDYEHPQHALTIP-UHFFFAOYSA-N |