11-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3046-8901 |
| Compound Name: | 11-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 512.48 |
| Molecular Formula: | C27 H23 F3 N2 O5 |
| Smiles: | COc1ccc(cc1OC)C1C2=C(CC(CC2=O)c2ccco2)Nc2ccccc2N1C(C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7623 |
| logD: | 4.5074 |
| logSw: | -4.5191 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.004 |
| InChI Key: | AKWOXFZBZVQYNZ-UHFFFAOYSA-N |