3,3-dimethyl-11-{4-[(propan-2-yl)oxy]phenyl}-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,3-dimethyl-11-{4-[(propan-2-yl)oxy]phenyl}-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-11-{4-[(propan-2-yl)oxy]phenyl}-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3046-8847 |
| Compound Name: | 3,3-dimethyl-11-{4-[(propan-2-yl)oxy]phenyl}-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 472.51 |
| Molecular Formula: | C26 H27 F3 N2 O3 |
| Smiles: | CC(C)Oc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4513 |
| logD: | 5.2214 |
| logSw: | -5.4453 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.239 |
| InChI Key: | JUKBKVUANDXKQS-QHCPKHFHSA-N |