N-(3-Cyanophenyl)-2-[[5-(4-methoxyphenyl)-4-[(tetrahydro-2-furanyl)methyl]-4H-1,2,4-triazol-3-yl]thio]acetamide
Basic information
- CAS
721408-63-5- Standard SMILES
COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C#N)c3)n2CC2CCCO2)cc1- InChIKey
UXEJOFRGKYVGHF-UHFFFAOYSA-N- Molecular formula
- C23H23N5O3S
- Average molar mass
- 449.5 g/mol
- Monoisotopic mass
- 449.15216079
Names & identifiers
- Preferred name
- N-(3-Cyanophenyl)-2-[[5-(4-methoxyphenyl)-4-[(tetrahydro-2-furanyl)methyl]-4H-1,2,4-triazol-3-yl]thio]acetamide
- IUPAC
- N-(3-cyanophenyl)-2-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Names & synonyms
DTXSID501108179AKOS002501643721408-63-5N-(3-Cyanophenyl)-2-[[5-(4-methoxyphenyl)-4-[(tetrahydro-2-furanyl)methyl]-4H-1,2,4-triazol-3-yl]thio]acetamideZ19526207
Database identifiers
- CAS
721408-63-5- PubChem CID
- 4121971
- DTXSID
DTXSID501108179
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 665
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Compound notes
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