4-(3,4-dimethoxyphenyl)-5,6-dihydro-4H,9H-[1,3]dioxolo[4,5-h]pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-(3,4-dimethoxyphenyl)-5,6-dihydro-4H,9H-[1,3]dioxolo[4,5-h]pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
4-(3,4-dimethoxyphenyl)-5,6-dihydro-4H,9H-[1,3]dioxolo[4,5-h]pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8016-5032 |
| Compound Name: | 4-(3,4-dimethoxyphenyl)-5,6-dihydro-4H,9H-[1,3]dioxolo[4,5-h]pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1) |
| Molecular Weight: | 400.86 |
| Molecular Formula: | C21 H20 N2 O4 |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1OC)C1c2cccn2c2cc3c(cc2CN1)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2355 |
| logD: | -1.2375 |
| logSw: | -3.3676 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.421 |
| InChI Key: | JROBQPXTZHCZCG-OAQYLSRUSA-N |