3-(3,4-dimethoxyphenyl)-10-hexanoyl-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-(3,4-dimethoxyphenyl)-10-hexanoyl-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dimethoxyphenyl)-10-hexanoyl-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 4038-0023 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-10-hexanoyl-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 592.66 |
| Molecular Formula: | C34 H35 F3 N2 O4 |
| Smiles: | CCCCCC(N1C(C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)Nc2ccccc12)c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.6029 |
| logD: | 7.2831 |
| logSw: | -5.6318 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.898 |
| InChI Key: | RSEZBMBZLDGGCL-UHFFFAOYSA-N |