Basic information
- Standard SMILES
CCOC(=O)C1(c2ccc(-c3ccc(-c4cnn(C)c4NC(C)CCc4ccc(Cl)cc4)cc3)cc2)CC1- InChIKey
WGDFHDNQFBHCQZ-UHFFFAOYSA-N- Molecular formula
- C32H34ClN3O2
- Average molar mass
- 528.1 g/mol
- Monoisotopic mass
- 527.233955
Names & identifiers
- Preferred name
- 1-(4'-{5-[3-(4-Chloro-phenyl)-1-methyl-propylamino]-1-methyl-1H-pyrazol-4-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid ethyl ester
- IUPAC
- ethyl 1-[4-[4-[5-[4-(4-chlorophenyl)butan-2-ylamino]-1-methylpyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylate
Names & synonyms
SCHEMBL9904120WGDFHDNQFBHCQZ-UHFFFAOYSA-N1-(4'-{5-[3-(4-Chloro-phenyl)-1-methyl-propylamino]-1-methyl-1H-pyrazol-4-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 67959564
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 752
Related reactions
1 records
Compound notes
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