Propanamide, N-[2-(1H-indol-3-yl)ethyl]-2-mercapto-
Basic information
- CAS
676272-69-8- Standard SMILES
CC(S)C(=O)NCCc1c[nH]c2ccccc12- InChIKey
GTVPFKWRFVVXPT-UHFFFAOYSA-N- Molecular formula
- C13H16N2OS
- Average molar mass
- 248.35 g/mol
- Monoisotopic mass
- 248.09833431
Names & identifiers
- Preferred name
- Propanamide, N-[2-(1H-indol-3-yl)ethyl]-2-mercapto-
- IUPAC
- N-[2-(1H-indol-3-yl)ethyl]-2-sulfanylpropanamide
Names & synonyms
Propanamide, N-[2-(1H-indol-3-yl)ethyl]-2-mercapto-676272-69-8DTXSID20437253N-[2-(1H-INDOL-3-YL)ETHYL]-2-SULFANYLPROPANAMIDE
Database identifiers
- CAS
676272-69-8- PubChem CID
- 10243750
- DTXSID
DTXSID20437253
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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