4-cyclohexyl-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-cyclohexyl-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
4-cyclohexyl-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8015-0059 |
| Compound Name: | 4-cyclohexyl-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1) |
| Molecular Weight: | 390.95 |
| Molecular Formula: | C22 H30 N2 O2 |
| Salt: | HCl |
| Smiles: | CCOc1cc2CNC(C3CCCCC3)c3cccn3c2cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8578 |
| logD: | 0.1168 |
| logSw: | -3.8689 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.6574 |
| InChI Key: | DATWQWIQCMIEAA-QFIPXVFZSA-N |