N-(1,3-benzodioxol-5-yl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Basic information
- CAS
3869-01-0- Standard SMILES
CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cccc(C)c1- InChIKey
BRMIXTPCWXMNKS-UHFFFAOYSA-N- Molecular formula
- C20H20N4O3S
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.12561169
Names & identifiers
- Preferred name
- N-(1,3-benzodioxol-5-yl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
- IUPAC
- N-(1,3-benzodioxol-5-yl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Names & synonyms
3869-01-0N-(1,3-benzodioxol-5-yl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamideDTXSID70389879STL026088AKOS000571866ST50413530N-(1,3-benzodioxol-5-yl)-2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideN-(2H-1,3-Benzodioxol-5-yl)-2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideN-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-[4-ethyl-5-(3-methylphenyl)(1,2,4-triaz ol-3-ylthio)]acetamideN-(benzo[d][1,3]dioxol-5-yl)-2-((4-ethyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
Database identifiers
- CAS
3869-01-0- PubChem CID
- 3148809
- DTXSID
DTXSID70389879
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 540
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Compound notes
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