Dimethyl 5-{bis[(4-chloroanilino)carbonyl]amino}-3-(2-methoxy-2-oxoethyl)-2,4-thiophenedicarboxylate
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Basic information
- CAS
339020-01-8- Standard SMILES
COC(=O)Cc1c(C(=O)OC)sc(N(C(=O)Nc2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc2)c1C(=O)OC- InChIKey
MJIXCRXVQKZJFJ-UHFFFAOYSA-N- Molecular formula
- C25H21Cl2N3O8S
- Average molar mass
- 594.4 g/mol
- Monoisotopic mass
- 593.0426412
Names & identifiers
- Preferred name
- Dimethyl 5-{bis[(4-chloroanilino)carbonyl]amino}-3-(2-methoxy-2-oxoethyl)-2,4-thiophenedicarboxylate
- IUPAC
- dimethyl 5-[bis[(4-chlorophenyl)carbamoyl]amino]-3-(2-methoxy-2-oxoethyl)thiophene-2,4-dicarboxylate
- English name
- Dimethyl 5-(bis[(4-chloroanilino)carbonyl]amino)-3-(2-methoxy-2-oxoethyl)-2,4-thiophenedicarboxylate
- Molecular formula
- C25H21Cl2N3O8S
- Molecular weight
- 594.42
Names & synonyms
339020-01-82,4-dimethyl 5-{bis[(4-chlorophenyl)carbamoyl]amino}-3-(2-methoxy-2-oxoethyl)thiophene-2,4-dicarboxylatedimethyl 5-{bis[(4-chloroanilino)carbonyl]amino}-3-(2-methoxy-2-oxoethyl)-2,4-thiophenedicarboxylatedimethyl 5-[bis[(4-chlorophenyl)carbamoyl]amino]-3-(2-methoxy-2-oxoethyl)thiophene-2,4-dicarboxylateOprea1_107388AKOS0051016217N-7242,4-dimethyl5-{bis[(4-chlorophenyl)carbamoyl]amino}-3-(2-methoxy-2-oxoethyl)thiophene-2,4-dicarboxylateDimethyl 5-(bis[(4-chloroanilino)carbonyl]amino)-3-(2-methoxy-2-oxoethyl)-2,4-thiophenedicarboxylate2,4-Thiophenedicarboxylic acid, 5-[bis[[(4-chlorophenyl)amino]carbonyl]amino]-3-(2-methoxy-2-oxoethyl)-, 2,4-dimethyl ester
Database identifiers
- CAS
339020-01-8- PubChem CID
- 3750082
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 876
Physicochemical properties
- Density
- 1.518 · 1.518±0.06 g/cm3(Predicted)
- pka
- 10.98 · 10.98±0.70(Predicted)
Related reactions
0 records
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Compound notes
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