3-phenyl-10-(trifluoroacetyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-phenyl-10-(trifluoroacetyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-phenyl-10-(trifluoroacetyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8012-7530 |
| Compound Name: | 3-phenyl-10-(trifluoroacetyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 552.55 |
| Molecular Formula: | C30 H27 F3 N2 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)C1C2=C(CC(CC2=O)c2ccccc2)Nc2ccccc2N1C(C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7157 |
| logD: | 5.3959 |
| logSw: | -5.4347 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.143 |
| InChI Key: | WCEKOHGEXIYCLY-UHFFFAOYSA-N |