Basic information
- Standard SMILES
O=C(O)c1sc(-c2ccccc2)cc1NCc1ccc(Cl)cc1Cl- InChIKey
WHIBBUNFHUZCSG-UHFFFAOYSA-N- Molecular formula
- C18H13Cl2NO2S
- Average molar mass
- 378.3 g/mol
- Monoisotopic mass
- 377.0044052
Names & identifiers
- Preferred name
- 3-[(2,4-dichlorophenyl)methylamino]-5-phenyl-thiophene-2-carboxylic Acid
- IUPAC
- 3-[(2,4-dichlorophenyl)methylamino]-5-phenylthiophene-2-carboxylic acid
Names & synonyms
SCHEMBL2158574WHIBBUNFHUZCSG-UHFFFAOYSA-N3-[(2,4-dichlorophenyl)methylamino]-5-phenyl-thiophene-2-carboxylic Acid3-(2,4-dichloro-benzylamino)-5-phenyl-thiophene-2-carboxylic acid2-Thiophenecarboxylic acid, 3-[[(2,4-dichlorophenyl)methyl]amino]-5-phenyl-
Database identifiers
- PubChem CID
- 10110173
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 433
Related reactions
3 records
Compound notes
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