Basic information
- Standard SMILES
CCCCCCCOc1ccc(C2=NC=C(C[C@@H](C)CC)C(Cl)(Cl)N2)cc1- InChIKey
VGFVEXXTMSQMHH-KRWDZBQOSA-N- Molecular formula
- C22H32Cl2N2O
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 410.189169
Names & identifiers
- Preferred name
- (S)-4,4-dichloro-2-(p-heptyloxy-phenyl)-5-(2-methylbutyl)-pyrimidine
- IUPAC
- 4,4-dichloro-2-(4-heptoxyphenyl)-5-[(2S)-2-methylbutyl]-1H-pyrimidine
Names & synonyms
SCHEMBL9723125SCHEMBL9723127VGFVEXXTMSQMHH-KRWDZBQOSA-N(S)-4,4-dichloro-2-(p-heptyloxy-phenyl)-5-(2-methylbutyl)-pyrimidine
Database identifiers
- PubChem CID
- 67914758
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 33.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 497
Related reactions
1 records
Compound notes
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