Basic information
- Standard SMILES
COc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn(C(C)C)c2-c2ccc(N(C)C)cc2)cc1- InChIKey
ZLKFMGIAXYKVID-YKUHLWEKSA-N- Molecular formula
- C28H37N3O7
- Average molar mass
- 527.6 g/mol
Names & identifiers
- Preferred name
- 1-Isopropyl-4-(4-methoxyphenylmethyl)-5-[4-(N,N-dimethyl-amino)phenyl)-3-(beta-D-glucopyranosyloxy)-1H-pyrazole
- IUPAC
- (2S,3R,4S,5S,6R)-2-[5-[4-(dimethylamino)phenyl]-4-[(4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
1-Isopropyl-4-(4-methoxyphenylmethyl)-5-[4-(N,N-dimethyl-amino)phenyl)-3-(beta-D-glucopyranosyloxy)-1H-pyrazole1-isopropyl-4-(4-methoxyphenylmethyl)-5-[4-(n,n-dimethyl-amino)phenyl]-3-(beta-d-glucopyranosyloxy)-1h-pyrazoleSCHEMBL1268460ZLKFMGIAXYKVID-YKUHLWEKSA-N
Database identifiers
- PubChem CID
- 57802403
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 715
Related reactions
2 records
Compound notes
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