Basic information
- Standard SMILES
CCCC(C(=O)O)c1c(C)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1O- InChIKey
USEQQBKBQZQEKP-UHFFFAOYSA-N- Molecular formula
- C22H21ClN2O3
- Average molar mass
- 396.9 g/mol
- Monoisotopic mass
- 396.1240702
Names & identifiers
- Preferred name
- 2-(4-(4-Chloro-2-hydroxyphenyl)-6-methyl-2-phenylpyrimidin-5-yl)pentanoic acid
- IUPAC
- 2-[4-(4-chloro-2-hydroxyphenyl)-6-methyl-2-phenylpyrimidin-5-yl]pentanoic acid
Names & synonyms
2-(4-(4-chloro-2-hydroxyphenyl)-6-methyl-2-phenylpyrimidin-5-yl)pentanoic acid2-[4-(4-Chloro-2-hydroxyphenyl)-6-methyl-2-phenylpyrimidin-5-yl]pentanoic acidSCHEMBL1227794USEQQBKBQZQEKP-UHFFFAOYSA-N2-[4-(4-chloro-2-hydroxy-phenyl)-6-methyl-2-phenyl-pyrimidin-5-yl]pentanoic acid
Database identifiers
- PubChem CID
- 136126964
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 514
Related reactions
1 records
Compound notes
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