Basic information
- Standard SMILES
CCCC(C(=O)O)c1c(C)nc(-c2ccccc2)nc1-c1ccc2sccc2c1- InChIKey
VIEJIMLZAILOCG-UHFFFAOYSA-N- Molecular formula
- C24H22N2O2S
- Average molar mass
- 402.5 g/mol
Names & identifiers
- Preferred name
- 2-(4-(Benzo[b]thiophen-5-yl)-6-methyl-2-phenylpyrimidin-5-yl)pentanoic acid
- IUPAC
- 2-[4-(1-benzothiophen-5-yl)-6-methyl-2-phenylpyrimidin-5-yl]pentanoic acid
Names & synonyms
SCHEMBL1226541VIEJIMLZAILOCG-UHFFFAOYSA-N2-[4-(benzothiophen-5-yl)-6-methyl-2-phenyl-pyrimidin-5-yl]pentanoic acid2-(4-(benzo[b]thiophen-5-yl)-6-methyl-2-phenylpyrimidin-5-yl)pentanoic acid2-[4-(1-Benzothiophen-5-yl)-6-methyl-2-phenylpyrimidin-5-yl]pentanoic acid
Database identifiers
- PubChem CID
- 66955352
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 553
Related reactions
1 records
Compound notes
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