4-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-5,6-dihydro-4H,9H-[1,3]dioxolo[4,5-h]pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
4-(2H-1,3-benzodioxol-5-yl)-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: | 8016-5028 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-5,6-dihydro-4H,9H-[1,3]dioxolo[4,5-h]pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1) |
| Molecular Weight: | 384.82 |
| Molecular Formula: | C20 H16 N2 O4 |
| Salt: | HCl |
| Smiles: | C1c2cc3c(cc2n2cccc2C(c2ccc4c(c2)OCO4)N1)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5337 |
| logD: | -0.9393 |
| logSw: | -3.6144 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.276 |
| InChI Key: | IKDYMXDTZYMASS-HXUWFJFHSA-N |