Basic information
- CAS
438616-72-9- Standard SMILES
CCN(CC)C(=O)c1sc(NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)c(C(=O)OC(C)C)c1C- InChIKey
USTJSFDSLAZCTQ-UHFFFAOYSA-N- Molecular formula
- C31H33N3O4S
- Average molar mass
- 543.7 g/mol
Names & identifiers
- Preferred name
- Isopropyl 5-[(diethylamino)carbonyl]-4-methyl-2-({[2-(3-methylphenyl)-4-quinolinyl]carbonyl}amino)-3-thiophenecarboxylate
- IUPAC
- propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
- English name
- isopropyl 5-[(diethylamino)carbonyl]-4-methyl-2-({[2-(3-methylphenyl)-4-quinolinyl]carbonyl}amino)-3-thiophenecarboxylate
- Molecular formula
- C31H33N3O4S
- Molecular weight
- 543.67642
Names & synonyms
isopropyl 5-[(diethylamino)carbonyl]-4-methyl-2-({[2-(3-methylphenyl)-4-quinolinyl]carbonyl}amino)-3-thiophenecarboxylateOprea1_243080STK418229AKOS003297926propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylateAK-968/12344420ISOPROPYL 5-[(DIETHYLAMINO)CARBONYL]-4-METHYL-2-({[2-(3-METHYLPHENYL)-4-QUINOLYL]CARBONYL}AMINO)-3-THIOPHENECARBOXYLATEpropan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)thiophene-3-carboxylate
Database identifiers
- CAS
438616-72-9
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 865
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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