3-(4-fluorophenyl)-11-(thiophen-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-fluorophenyl)-11-(thiophen-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-fluorophenyl)-11-(thiophen-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 5236-0259 |
| Compound Name: | 3-(4-fluorophenyl)-11-(thiophen-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 486.49 |
| Molecular Formula: | C25 H18 F4 N2 O2 S |
| Smiles: | C1C(CC(C2C(c3cccs3)N(C(C(F)(F)F)=O)c3ccccc3NC1=2)=O)c1ccc(cc1)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6349 |
| logD: | 5.1823 |
| logSw: | -5.7743 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.183 |
| InChI Key: | WSPWJMBXBCNIDZ-UHFFFAOYSA-N |