ethyl 3-[(2,4-dimethoxyanilino)carbonyl]-2-[(2-thienylmethyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
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Basic information
- CAS
571164-28-8- Standard SMILES
CCOC(=O)N1CCc2c(sc(NCc3cccs3)c2C(=O)Nc2ccc(OC)cc2OC)C1- InChIKey
IVOHKQLPWHLWJD-UHFFFAOYSA-N- Molecular formula
- C24H27N3O5S2
- Average molar mass
- 501.6 g/mol
- Monoisotopic mass
- 501.13921332
Names & identifiers
- Preferred name
- ethyl 3-[(2,4-dimethoxyanilino)carbonyl]-2-[(2-thienylmethyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
- IUPAC
- ethyl 3-[(2,4-dimethoxyphenyl)carbamoyl]-2-(thiophen-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
- English name
- ethyl 3-[(2,4-dimethoxyanilino)carbonyl]-2-[(2-thienylmethyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
- Molecular formula
- C24H27N3O5S2
- Molecular weight
- 501.61828
Names & synonyms
ethyl 3-[(2,4-dimethoxyanilino)carbonyl]-2-[(2-thienylmethyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylateCHEMBL1314810HMS1916I09AKOS002120724NCGC00140799-01NCGC00140799-02ethyl 3-[(2,4-dimethoxyphenyl)carbamoyl]-2-(thiophen-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylateAE-848/42024707SR-01000584578SR-01000584578-1K801-0792ethyl 3-[(2,4-dimethoxyphenyl)carbamoyl]-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
Database identifiers
- CAS
571164-28-8- PubChem CID
- 1050781
- ChEMBL
CHEMBL1314810
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 702
Related reactions
0 records
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Compound notes
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