3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-10-(trifluoroacetyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-methoxyphenyl)-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: | 4780-0064 |
| Compound Name: | 3-(4-methoxyphenyl)-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: | 582.58 |
| Molecular Formula: | C31 H29 F3 N2 O6 |
| Smiles: | COc1ccc(cc1)C1CC2=C(C(c3cc(c(c(c3)OC)OC)OC)N(C(C(F)(F)F)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6938 |
| logD: | 5.374 |
| logSw: | -5.4601 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.686 |
| InChI Key: | QXIONYISBBJWBJ-UHFFFAOYSA-N |