Ethyl 4-(4-chlorophenyl)-2-({[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate
Basic information
- CAS
496025-92-4- Standard SMILES
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CSc1nnc2cc(C)c3ccccc3n12- InChIKey
HARLTMIDQBEQAH-UHFFFAOYSA-N- Molecular formula
- C26H21ClN4O3S2
- Average molar mass
- 537.1 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-(4-chlorophenyl)-2-({[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate
- IUPAC
- ethyl 4-(4-chlorophenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
- English name
- ethyl 4-(4-chlorophenyl)-2-({[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate
- Molecular formula
- C26H21ClN4O3S2
- Molecular weight
- 537.05
Names & synonyms
ethyl 4-(4-chlorophenyl)-2-({[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylateOprea1_607837AF-399/40920964AKOS001053965ethyl 4-(4-chlorophenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylateST50050177Z20240081ETHYL 4-(4-CHLOROPHENYL)-2-[2-({5-METHYL-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-YL}SULFANYL)ACETAMIDO]THIOPHENE-3-CARBOXYLATEethyl 4-(4-chlorophenyl)-2-[2-(5-methyl(10-hydro-1,2,4-triazolo[4,3-a]quinolin ylthio))acetylamino]thiophene-3-carboxylate3-Thiophenecarboxylic acid, 4-(4-chlorophenyl)-2-[[2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetyl]amino]-, ethyl ester
Database identifiers
- CAS
496025-92-4
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 786
Physicochemical properties
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 11.99 · 11.99±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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