4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-methoxyphenol--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-methoxyphenol--hydrogen chloride (1/1)
4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-methoxyphenol--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8013-4069 |
| Compound Name: | 4-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-methoxyphenol--hydrogen chloride (1/1) |
| Molecular Weight: | 342.82 |
| Molecular Formula: | C19 H18 N2 O2 |
| Salt: | HCl |
| Smiles: | COc1cc(ccc1O)C1c2cccn2c2ccccc2CN1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8453 |
| logD: | -0.4421 |
| logSw: | -3.0374 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.223 |
| InChI Key: | XUBFVVAGMSDJMD-LJQANCHMSA-N |