N-[(2,4-dichlorophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
Basic information
- CAS
1023814-52-9- Standard SMILES
Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Cl)cc3Cl)o2)cc1C- InChIKey
NBPKSEBHVZNFBA-UHFFFAOYSA-N- Molecular formula
- C20H16Cl2N2O2S
- Average molar mass
- 419.3 g/mol
- Monoisotopic mass
- 418.0309543
Names & identifiers
- Preferred name
- N-[(2,4-dichlorophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
- IUPAC
- N-[(2,4-dichlorophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
Names & synonyms
DTXSID701127917N-[(2,4-dichlorophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamideN-[[(2,4-Dichlorophenyl)amino]thioxomethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide1023814-52-9
Database identifiers
- CAS
1023814-52-9- PubChem CID
- 4258458
- DTXSID
DTXSID701127917
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 550
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Compound notes
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