2-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-3-methoxyphenol--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-3-methoxyphenol--hydrogen chloride (1/1)
2-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-3-methoxyphenol--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8013-5977 |
| Compound Name: | 2-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-3-methoxyphenol--hydrogen chloride (1/1) |
| Molecular Weight: | 342.82 |
| Molecular Formula: | C19 H18 N2 O2 |
| Salt: | HCl |
| Smiles: | COc1cccc(c1C1c2cccn2c2ccccc2CN1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2975 |
| logD: | 1.4521 |
| logSw: | -3.2181 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.223 |
| InChI Key: | UPKPJXUXUAWMAI-IBGZPJMESA-N |