4-(3,3-dimethyl-1-oxo-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-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzonitrile
4-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzonitrile
Compound characteristics
| Compound ID: | 3046-8765 |
| Compound Name: | 4-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzonitrile |
| Molecular Weight: | 343.43 |
| Molecular Formula: | C22 H21 N3 O |
| Smiles: | CC1(C)CC2=C(C(c3ccc(C#N)cc3)Nc3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7346 |
| logD: | 3.724 |
| logSw: | -4.1425 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.804 |
| InChI Key: | GDJNWOFQCKBPMI-NRFANRHFSA-N |