3-(4-chlorophenyl)-11-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-11-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-chlorophenyl)-11-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8012-4701 |
| Compound Name: | 3-(4-chlorophenyl)-11-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 681.54 |
| Molecular Formula: | C36 H29 Cl2 F3 N2 O4 |
| Smiles: | CCOc1cc(ccc1OCc1ccc(cc1)[Cl])C1C2=C(CC(CC2=O)c2ccc(cc2)[Cl])Nc2ccccc2N1C(C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.5202 |
| logD: | 8.2004 |
| logSw: | -6.5045 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.689 |
| InChI Key: | GJXYXYIKCCJUQX-UHFFFAOYSA-N |