11-[4-(benzyloxy)phenyl]-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-[4-(benzyloxy)phenyl]-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-[4-(benzyloxy)phenyl]-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y500-0108 |
| Compound Name: | 11-[4-(benzyloxy)phenyl]-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 520.55 |
| Molecular Formula: | C30 H27 F3 N2 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)OCc3ccccc3)N(C(C(F)(F)F)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1991 |
| logD: | 5.9692 |
| logSw: | -5.6202 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.664 |
| InChI Key: | QUPFWULGAMVKLA-MHZLTWQESA-N |