2-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazine-1-sulfonyl}benzonitrile
Chemical Structure Depiction of
2-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazine-1-sulfonyl}benzonitrile
2-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazine-1-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | V021-6909 |
| Compound Name: | 2-{4-[2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]-2-methylpiperazine-1-sulfonyl}benzonitrile |
| Molecular Weight: | 556.56 |
| Molecular Formula: | C27 H23 F3 N4 O4 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1S(c1ccccc1C#N)(=O)=O)C1c2cc(ccc2Oc2ccc(cc2N=1)C(F)(F)F)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8574 |
| logD: | 3.3168 |
| logSw: | -4.6002 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.376 |
| InChI Key: | ZXDCMQCCMNFJKY-KRWDZBQOSA-N |