4-[10-acetyl-3-(4-fluorophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzonitrile
Chemical Structure Depiction of
4-[10-acetyl-3-(4-fluorophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzonitrile
4-[10-acetyl-3-(4-fluorophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzonitrile
Compound characteristics
| Compound ID: | 8015-3464 |
| Compound Name: | 4-[10-acetyl-3-(4-fluorophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzonitrile |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C28 H22 F N3 O2 |
| Smiles: | CC(N1C(C2=C(CC(CC2=O)c2ccc(cc2)F)Nc2ccccc12)c1ccc(C#N)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9003 |
| logD: | 4.5805 |
| logSw: | -4.5537 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.689 |
| InChI Key: | ZMLGDYGIDZKQKD-UHFFFAOYSA-N |