N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide
Basic information
- CAS
5697-38-1- Standard SMILES
CCC1CCc2c(sc(NC(=O)c3c(C)c(-c4ccc(Cl)cc4Cl)nc4ccccc34)c2C(N)=O)C1- InChIKey
PLXRDKXDPCMBHL-UHFFFAOYSA-N- Molecular formula
- C28H25Cl2N3O2S
- Average molar mass
- 538.5 g/mol
- Monoisotopic mass
- 537.1044536
Names & identifiers
- Preferred name
- N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide
- IUPAC
- N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide
Names & synonyms
5697-38-1N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamideN-(3-CARBAMOYL-6-ETHYL-4,5,6,7-TETRAHYDROBENZOTHIOPHEN-2-YL)-2-(2,4-DICHLOROPHENYL)-3-METHYL-QUINOLINE-4-CARBOXAMIDEST50914322Oprea1_799589DTXSID20386419STK448699AKOS003236656AKOS0221665062-{[2-(2,4-dichlorophenyl)-3-methyl(4-quinolyl)]carbonylamino}-6-ethyl-4,5,6,7 -tetrahydrobenzo[b]thiophene-3-carboxamideN-[3-(aminocarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-(2,4-dichlorophenyl)-3-methyl-4-quinolinecarboxamide
Database identifiers
- CAS
5697-38-1- PubChem CID
- 2862633
- DTXSID
DTXSID20386419
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 818
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Compound notes
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