Basic information
- CAS
663157-68-4- Standard SMILES
COCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(Cl)cc1- InChIKey
ITYDSLDUEUPCJX-UHFFFAOYSA-N- Molecular formula
- C20H21ClN4O3S
- Average molar mass
- 432.9 g/mol
Names & identifiers
- Preferred name
- 2-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
- IUPAC
- 2-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
- English name
- 2-{[5-(4-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
- Molecular formula
- C20H21ClN4O3S
- Molecular weight
- 432.92
Names & synonyms
2-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide2-{[5-(4-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamideSMR000073507MLS000048227CHEMBL1485893HMS2477H08STL379551AKOS000409804AH-487/41734823SR-01000265539SR-01000265539-12-{[5-(4-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]thio}-N-(3-methoxyphenyl)acetamide
Show more names
Acetamide, 2-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)-
663157-68-4
Database identifiers
- CAS
663157-68-4- ChEMBL
CHEMBL1485893
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 510
Physicochemical properties
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 12.49 · 12.49±0.70(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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