Basic information
- CAS
5502-38-5- Standard SMILES
CN1CCN(CCCSn2c3c(c4ccccc42)COCC3)CC1.Cl.Cl- InChIKey
NUDAYQJUPUGEAC-UHFFFAOYSA-N- Molecular formula
- C19H29Cl2N3OS
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 417.1408391
Names & identifiers
- Preferred name
- Thiopyrano(4,3-b)indole, 1,3,4,5-tetrahydro-5-(3-(4-methyl-1-piperazinyl)propyl)-, dihydrochloride
- IUPAC
- 5-[3-(4-methylpiperazin-1-yl)propylsulfanyl]-3,4-dihydro-1H-pyrano[4,3-b]indole;dihydrochloride
Names & synonyms
Thiopyrano(4,3-b)indole, 1,3,4,5-tetrahydro-5-(3-(4-methyl-1-piperazinyl)propyl)-, dihydrochloride1,3,4,5-Tetrahydro-5-(3-(4-methyl-1-piperazinyl)propyl)thiopyrano(4,3-b)indole dihydrochloride5502-38-5DTXSID40203558RefChem:385373DTXCID701260495-{[3-(4-Methylpiperazin-1-yl)propyl]sulfanyl}-1,3,4,5-tetrahydropyrano[4,3-b]indole--hydrogen chloride (1/2)
Database identifiers
- CAS
5502-38-5- PubChem CID
- 200023
- DTXSID
DTXSID40203558
Properties
Computed structural properties
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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