Basic information
- Standard SMILES
NC(=O)c1ccc(-c2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)s2)cc1- InChIKey
HUGKINSVUIDASX-IFPLKCGESA-N- Molecular formula
- C24H24ClNO6S
- Average molar mass
- 490 g/mol
Names & identifiers
- Preferred name
- 1-(beta-D-glucopyranosyl)-3-(5-(4-carbamoyl-phenyl)-2-thienylmethyl)-4-chlorobenzene
- IUPAC
- 4-[5-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]thiophen-2-yl]benzamide
Names & synonyms
SCHEMBL152091HUGKINSVUIDASX-IFPLKCGESA-N1-(beta-D-glucopyranosyl)-3-(5-(4-carbamoyl-phenyl)-2-thienylmethyl)-4-chlorobenzene1-(beta-D-glucopyranosyl)-3-(5-(4-carbamoylphenyl)-2-thienylmethyl)-4-chlorobenzene
Database identifiers
- PubChem CID
- 66607236
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 665
Related reactions
4 records
Compound notes
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