Basic information
- Standard SMILES
NC(=O)SC(C(=O)O)c1ccc(C2CCCCC2)c(Cl)c1- InChIKey
QOKHBAQRNOKPMC-UHFFFAOYSA-N- Molecular formula
- C15H18ClNO3S
- Average molar mass
- 327.8 g/mol
Names & identifiers
- Preferred name
- alpha-Carbamylthio-3-chloro-4-cyclohexylphenylacetic acid
- IUPAC
- 2-carbamoylsulfanyl-2-(3-chloro-4-cyclohexylphenyl)acetic acid
Names & synonyms
SCHEMBL11778866QOKHBAQRNOKPMC-UHFFFAOYSA-Nalpha-carbamylthio-3-chloro-4-cyclohexylphenylacetic acid
Database identifiers
- PubChem CID
- 21514616
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 387
Related reactions
2 records
Compound notes
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