N-benzyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbothioamide
Basic information
- CAS
488087-11-2- Standard SMILES
Fc1ccc2[nH]c3c(c2c1)CN(C(=S)NCc1ccccc1)CC3- InChIKey
WLTRZYJECILGQH-UHFFFAOYSA-N- Molecular formula
- C19H18FN3S
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.12054692
Names & identifiers
- Preferred name
- N-benzyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbothioamide
- IUPAC
- N-benzyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbothioamide
Names & synonyms
N-benzyl-8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carbothioamideN-benzyl-8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbothioamide488087-11-2MLS000767624CHEMBL1585979DTXSID801326796HMS2792F16STL333321AKOS022132556SMR0004299428-Fluoro-1,3,4,5-tetrahydro-pyrido[4,3-b]indole-2-carbothioic acid benzylamideN-benzyl-8-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carbothioamide
Database identifiers
- CAS
488087-11-2- PubChem CID
- 4584499
- DTXSID
DTXSID801326796- ChEMBL
CHEMBL1585979
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
Experimental & physicochemical properties
Solubility5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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