Acetamide, 2-[[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-[(4-ethoxy-2-nitrophenyl)methyl]-
Basic information
- CAS
519041-86-2- Standard SMILES
CCOc1ccc(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)c([N+](=O)[O-])c1- InChIKey
HFIJEYNECLNAFF-UHFFFAOYSA-N- Molecular formula
- C19H18Cl2N6O4S
- Average molar mass
- 497.4 g/mol
- Monoisotopic mass
- 496.0487296
Names & identifiers
- Preferred name
- Acetamide, 2-[[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-[(4-ethoxy-2-nitrophenyl)methyl]-
- IUPAC
- 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-ethoxy-2-nitrophenyl)methyl]acetamide
Names & synonyms
DTXSID401108902519041-86-2Acetamide, 2-[[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-[(4-ethoxy-2-nitrophenyl)methyl]-
Database identifiers
- CAS
519041-86-2- PubChem CID
- 4338035
- DTXSID
DTXSID401108902
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 647
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Compound notes
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