2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-chlorophenyl)acetamide
Basic information
- CAS
355003-22-4- Standard SMILES
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1- InChIKey
PDTKTDYWDNIFTD-UHFFFAOYSA-N- Molecular formula
- C20H18Cl2N4O2S
- Average molar mass
- 449.4 g/mol
Names & identifiers
- Preferred name
- 2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-chlorophenyl)acetamide
- IUPAC
- 2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
- English name
- 2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-chlorophenyl)acetamide
- Molecular formula
- C20H18Cl2N4O2S
- Molecular weight
- 449.35
Names & synonyms
2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-chlorophenyl)acetamide355003-22-42-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)acetamideAK-968/13025391STK599522AKOS0022950612-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide2-({4-ALLYL-5-[(4-CHLOROPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)-N~1~-(4-CHLOROPHENYL)ACETAMIDE2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-chlorophenyl)acetamideAcetamide, 2-[[5-[(4-chlorophenoxy)methyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-N-(4-chlorophenyl)-
Database identifiers
- CAS
355003-22-4
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 529
Physicochemical properties
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 12.17 · 12.17±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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