11-(4-fluorophenyl)-3-(4-methoxyphenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(4-fluorophenyl)-3-(4-methoxyphenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(4-fluorophenyl)-3-(4-methoxyphenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 4780-0085 |
| Compound Name: | 11-(4-fluorophenyl)-3-(4-methoxyphenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 510.49 |
| Molecular Formula: | C28 H22 F4 N2 O3 |
| Smiles: | COc1ccc(cc1)C1CC2=C(C(c3ccc(cc3)F)N(C(C(F)(F)F)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.993 |
| logD: | 5.6732 |
| logSw: | -5.6016 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.708 |
| InChI Key: | AHEMWIXKWGLZNO-UHFFFAOYSA-N |