Basic information
- Standard SMILES
CCNCc1cc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)no1- InChIKey
NQNMWXOFSGKOOV-UHFFFAOYSA-N- Molecular formula
- C17H19ClN4O2
- Average molar mass
- 346.8 g/mol
Names & identifiers
- Preferred name
- N-(2-(5-chloro-1H-indol-3-yl)ethyl)-5-((ethylamino)methyl)isoxazole-3-carboxamide
- IUPAC
- N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(ethylaminomethyl)-1,2-oxazole-3-carboxamide
Names & synonyms
SCHEMBL892154NQNMWXOFSGKOOV-UHFFFAOYSA-NN-(2-(5-chloro-1H-indol-3-yl)ethyl)-5-((ethylamino)methyl)isoxazole-3-carboxamide
Database identifiers
- PubChem CID
- 66831786
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 425
Related reactions
3 records
Compound notes
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