3,3-dimethyl-10-(2-methylpropanoyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,3-dimethyl-10-(2-methylpropanoyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-10-(2-methylpropanoyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y010-1694 |
| Compound Name: | 3,3-dimethyl-10-(2-methylpropanoyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 456.51 |
| Molecular Formula: | C26 H27 F3 N2 O2 |
| Smiles: | CC(C)C(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8401 |
| logD: | 5.6103 |
| logSw: | -5.6655 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.436 |
| InChI Key: | ZVXNSLLIGIHBLO-QHCPKHFHSA-N |