Basic information
- Standard SMILES
CC(C)OC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=S)SCc1ccc(Cl)cc1- InChIKey
BQHMPVJNHLRXFI-NRFANRHFSA-N- Molecular formula
- C23H23ClN2O2S2
- Average molar mass
- 459 g/mol
Names & identifiers
- Preferred name
- Isopropyl (3S)-2-[(4-chlorobenzylthio)thiocarbonyl]-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate
- IUPAC
- propan-2-yl (3S)-2-[(4-chlorophenyl)methylsulfanylcarbothioyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
Names & synonyms
BQHMPVJNHLRXFI-NRFANRHFSA-NIsopropyl (3S)-2-[(4-chlorobenzylthio)thiocarbonyl]-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate
Database identifiers
- PubChem CID
- 13562000
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 626
Related reactions
1 records
Compound notes
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