4-(3,3-dimethyl-1-oxo-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzonitrile
Chemical Structure Depiction of
4-(3,3-dimethyl-1-oxo-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzonitrile
4-(3,3-dimethyl-1-oxo-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzonitrile
Compound characteristics
| Compound ID: | 3046-8768 |
| Compound Name: | 4-(3,3-dimethyl-1-oxo-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzonitrile |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C25 H25 N3 O2 |
| Smiles: | CCC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2313 |
| logD: | 4.0014 |
| logSw: | -4.2962 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.965 |
| InChI Key: | FQTVQAFAUZNTAR-DEOSSOPVSA-N |