3-(4-chlorophenyl)-11-(3-methoxyphenyl)-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-(3-methoxyphenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-chlorophenyl)-11-(3-methoxyphenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8012-4713 |
| Compound Name: | 3-(4-chlorophenyl)-11-(3-methoxyphenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 526.94 |
| Molecular Formula: | C28 H22 Cl F3 N2 O3 |
| Smiles: | COc1cccc(c1)C1C2=C(CC(CC2=O)c2ccc(cc2)[Cl])Nc2ccccc2N1C(C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5965 |
| logD: | 6.2767 |
| logSw: | -6.4346 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.708 |
| InChI Key: | JWGCCRBHNDZREE-UHFFFAOYSA-N |