Basic information
- Standard SMILES
CCCC(C(=O)OC)c1c(C)nc(-c2ccccc2)nc1-c1ccc2c(c1)CCO2- InChIKey
QWKQRGGADCSBPN-UHFFFAOYSA-N- Molecular formula
- C25H26N2O3
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.1943427
Names & identifiers
- Preferred name
- Methyl 2-(4-(2,3-dihydrobenzofuran-5-yl)-6-methyl-2-phenylpyrimidin-5-yl)pentanoate
- IUPAC
- methyl 2-[4-(2,3-dihydro-1-benzofuran-5-yl)-6-methyl-2-phenylpyrimidin-5-yl]pentanoate
Names & synonyms
SCHEMBL1227549QWKQRGGADCSBPN-UHFFFAOYSA-NMethyl 2-(4-(2,3-di hydrobenzofuran-5-yl)-6-methyl-2-phenylpyrimidin-5-yl)pentanoateMethyl 2-(4-(2,3-dihydrobenzofuran-5-yl)-6-methyl-2-phenylpyrimidin-5-yl)pentanoate
Database identifiers
- PubChem CID
- 66955799
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 565
Related reactions
2 records
Compound notes
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