4-[3-(4-fluorophenyl)-1-oxo-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzonitrile
Chemical Structure Depiction of
4-[3-(4-fluorophenyl)-1-oxo-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzonitrile
4-[3-(4-fluorophenyl)-1-oxo-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzonitrile
Compound characteristics
| Compound ID: | 8014-6690 |
| Compound Name: | 4-[3-(4-fluorophenyl)-1-oxo-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzonitrile |
| Molecular Weight: | 519.6 |
| Molecular Formula: | C31 H22 F N3 O2 S |
| Smiles: | C1C(CC(C2C(c3ccc(C#N)cc3)N(C(c3cccs3)=O)c3ccccc3NC1=2)=O)c1ccc(cc1)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3524 |
| logD: | 6.3084 |
| logSw: | -6.0481 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.968 |
| InChI Key: | SNIBPKOEDAGUPW-UHFFFAOYSA-N |