4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzonitrile--hydrogen chloride (1/1)
4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8014-8715 |
| Compound Name: | 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)benzonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 321.81 |
| Molecular Formula: | C19 H15 N3 |
| Salt: | HCl |
| Smiles: | C1c2ccccc2n2cccc2C(c2ccc(C#N)cc2)N1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1553 |
| logD: | 1.5401 |
| logSw: | -3.1251 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.101 |
| InChI Key: | RUXQESSVXBCZIT-LJQANCHMSA-N |