Basic information
- Standard SMILES
NC(=O)SC(C(=O)O)c1ccc(-c2ccccc2Cl)cc1- InChIKey
BJCKHZQJTLLJRK-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO3S
- Average molar mass
- 321.8 g/mol
Names & identifiers
- Preferred name
- alpha-Carbamylthio2'-chloro-4-biphenylylacetic acid
- IUPAC
- 2-carbamoylsulfanyl-2-[4-(2-chlorophenyl)phenyl]acetic acid
Names & synonyms
SCHEMBL11848728BJCKHZQJTLLJRK-UHFFFAOYSA-Nalpha-carbamylthio2'-chloro-4-biphenylylacetic acid
Database identifiers
- PubChem CID
- 21556048
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Related reactions
2 records
Compound notes
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