Basic information
- CAS
892148-18-4- Standard SMILES
CCCCc1nc(SCC(=O)N(c2ccccc2)C(C)C)nn1N- InChIKey
BIQFDCXXDGNEJJ-UHFFFAOYSA-N- Molecular formula
- C17H25N5OS
- Average molar mass
- 347.5 g/mol
- Monoisotopic mass
- 347.17798161
Names & identifiers
- Preferred name
- 2-((1-Amino-5-butyl-1H-1,2,4-triazol-3-YL)thio)-N-isopropyl-N-phenylacetamide
- IUPAC
- 2-[(1-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
Names & synonyms
AKOS0244049252-((1-AMINO-5-BUTYL-1H-1,2,4-TRIAZOL-3-YL)THIO)-N-ISOPROPYL-N-PHENYLACETAMIDE
Database identifiers
- CAS
892148-18-4- PubChem CID
- 4530216
- EC Number
- 121-275-4
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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