Basic information
- Standard SMILES
COC(=O)c1sc(-c2ccccc2)cc1NCc1ccc(Cl)cc1Cl- InChIKey
HNDNBPMQCVYEHY-UHFFFAOYSA-N- Molecular formula
- C19H15Cl2NO2S
- Average molar mass
- 392.3 g/mol
Names & identifiers
- Preferred name
- 3-(2,4-Dichloro-benzylamino)-5-phenyl-thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 3-[(2,4-dichlorophenyl)methylamino]-5-phenylthiophene-2-carboxylate
Names & synonyms
SCHEMBL2157780HNDNBPMQCVYEHY-UHFFFAOYSA-N3-(2,4-Dichloro-benzylamino)-5-phenyl-thiophene-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 20775754
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
Related reactions
6 records
Compound notes
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