N-(3,4-Dimethylphenyl)-2-[[4-(3-methoxypropyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetamide
Basic information
- CAS
333793-05-8- Standard SMILES
COCCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccncc1- InChIKey
GBPYBJAGPLTSFW-UHFFFAOYSA-N- Molecular formula
- C21H25N5O2S
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.17289623
Names & identifiers
- Preferred name
- N-(3,4-Dimethylphenyl)-2-[[4-(3-methoxypropyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetamide
- IUPAC
- N-(3,4-dimethylphenyl)-2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Names & synonyms
DTXSID501114085333793-05-8N-(3,4-Dimethylphenyl)-2-[[4-(3-methoxypropyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetamideN-(3,4-Dimethylphenyl)-2-{[4-(3-methoxypropyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Database identifiers
- CAS
333793-05-8- PubChem CID
- 3170484
- DTXSID
DTXSID501114085
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 505
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Compound notes
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