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Basic information
- Standard SMILES
CCCN1CCc2[nH]c3ccc4sccc4c3c2C1- InChIKey
QKSZRTKNNAOTJS-UHFFFAOYSA-N- Molecular formula
- C16H18N2S
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.11906976
Names & identifiers
- Preferred name
- 9-Propyl-7,8,9,10-tetrahydrothieno[3,2-e]pyrido[4,3-b]indole
- IUPAC
- 14-propyl-5-thia-10,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16)-pentaene
Names & synonyms
SCHEMBL11180910QKSZRTKNNAOTJS-UHFFFAOYSA-N9-Propyl-7,8,9,10-tetrahydrothieno[3,2-e]pyrido[4,3-b]indole
Database identifiers
- PubChem CID
- 20484303
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Related reactions
1 records
Compound notes
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