3-(4-fluorophenyl)-11-(thiophen-2-yl)-10-(3,4,5-trimethoxybenzoyl)-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-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-fluorophenyl)-11-(thiophen-2-yl)-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 4038-0048 |
| Compound Name: | 3-(4-fluorophenyl)-11-(thiophen-2-yl)-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 584.67 |
| Molecular Formula: | C33 H29 F N2 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(N1C(C2=C(CC(CC2=O)c2ccc(cc2)F)Nc2ccccc12)c1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0403 |
| logD: | 5.9719 |
| logSw: | -5.485 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.889 |
| InChI Key: | RDRFTBIJDMJKOY-UHFFFAOYSA-N |