Basic information
- Standard SMILES
CSc1ncc2ccc(-c3cccc(NC(=O)C(C)(C)C)c3)n2n1- InChIKey
HERZZIYGGFOTIQ-UHFFFAOYSA-N- Molecular formula
- C18H20N4OS
- Average molar mass
- 340.4 g/mol
Names & identifiers
- Preferred name
- 2,2-Dimethyl-N-[3-(2-methylsulfanyl-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenyl]-propionamide
- IUPAC
- 2,2-dimethyl-N-[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]propanamide
Names & synonyms
SCHEMBL520639HERZZIYGGFOTIQ-UHFFFAOYSA-N2,2-Dimethyl-N-[3-(2-methylsulfanyl-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenyl]-propionamide
Database identifiers
- PubChem CID
- 66711697
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 453
Related reactions
1 records
Compound notes
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