11-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 5991-0751 |
| Compound Name: | 11-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 524.54 |
| Molecular Formula: | C29 H27 F3 N2 O4 |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC2=C(C(c3ccc(cc3)C(F)(F)F)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6885 |
| logD: | 5.6722 |
| logSw: | -5.5701 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.454 |
| InChI Key: | DPUDIVIYBCKIIS-UHFFFAOYSA-N |