RefChem:385373
5-[3-(4-methylpiperazin-1-yl)propylsulfanyl]-3,4-dihydro-1H-pyrano[4,3-b]indole;dihydrochloride
Also Known As: Thiopyrano(4,3-b)indole, 1,3,4,5-tetrahydro-5-(3-(4-methyl-1-piperazinyl)propyl)-, dihydrochloride|1,3,4,5-Tetrahydro-5-(3-(4-methyl-1-piperazinyl)propyl)thiopyrano(4,3-b)indole dihydrochloride|5-[3-(4-methylpiperazin-1-yl)propylsulfanyl]-3,4-dihydro-1H-pyrano[4,3-b]indole dihydrochloride|5-{[3-(4-Methylpiperazin-1-yl)propyl]sulfanyl}-1,3,4,5-tetrahydropyrano[4,3-b]indole--hydrogen chloride (1/2)
| Molecular Formula | C19H29Cl2N3OS |
|---|---|
| Molecular Weight | 417.14084 g/mol |
| LogP | 3.6914 |
| Topological Polar Surface Area | 45.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.14084 |
| Monoisotopic Mass | 417.14084 |
| Heavy Atoms | 26 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 5502-38-5 |
|---|---|
| SMILES | CN1CCN(CC1)CCCSN2C3=C(COCC3)C4=CC=CC=C42.Cl.Cl |
| InChIKey | NUDAYQJUPUGEAC-UHFFFAOYSA-N |
Product Overview
RefChem:385373 (CAS 5502-38-5), with molecular formula C19H29Cl2N3OS and molecular weight 417.14084 g/mol. IUPAC: 5-[3-(4-methylpiperazin-1-yl)propylsulfanyl]-3,4-dihydro-1H-pyrano[4,3-b]indole;dihydrochloride.
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