5-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-methoxyphenol--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-methoxyphenol--hydrogen chloride (1/1)
5-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-methoxyphenol--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8015-3246 |
| Compound Name: | 5-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-methoxyphenol--hydrogen chloride (1/1) |
| Molecular Weight: | 430.93 |
| Molecular Formula: | C23 H26 N2 O4 |
| Salt: | HCl |
| Smiles: | CCOc1cc2CNC(c3ccc(c(c3)O)OC)c3cccn3c2cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9602 |
| logD: | -0.7961 |
| logSw: | -3.0391 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.644 |
| InChI Key: | NJPVIOQQGAERBP-HSZRJFAPSA-N |