4-(4-fluoro-3-methoxyphenyl)-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-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H,9H-[1,3]dioxolo[4,5-h]pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
4-(4-fluoro-3-methoxyphenyl)-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: | 8016-5033 |
| Compound Name: | 4-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H,9H-[1,3]dioxolo[4,5-h]pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1) |
| Molecular Weight: | 388.82 |
| Molecular Formula: | C20 H17 F N2 O3 |
| Salt: | HCl |
| Smiles: | COc1cc(ccc1F)C1c2cccn2c2cc3c(cc2CN1)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7166 |
| logD: | -0.6201 |
| logSw: | -4.041 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.791 |
| InChI Key: | WZALNQKDAQULAI-HXUWFJFHSA-N |