2-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-6-ethoxyphenol--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-6-ethoxyphenol--hydrogen chloride (1/1)
2-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-6-ethoxyphenol--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8014-2854 |
| Compound Name: | 2-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-6-ethoxyphenol--hydrogen chloride (1/1) |
| Molecular Weight: | 444.96 |
| Molecular Formula: | C24 H28 N2 O4 |
| Salt: | HCl |
| Smiles: | CCOc1cc2CNC(c3cccc(c3O)OCC)c3cccn3c2cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7315 |
| logD: | -0.7157 |
| logSw: | -3.7607 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.155 |
| InChI Key: | GENKECVRPZLRAE-HSZRJFAPSA-N |