Basic information
- Standard SMILES
CC(C)c1cnc(N2CCC([C@H]3C[C@H]3COCc3ccc(S(C)(=O)=O)cc3)CC2)nc1- InChIKey
JZBLUMHTPMOFKQ-NZQKXSOJSA-N- Molecular formula
- C24H33N3O3S
- Average molar mass
- 443.6 g/mol
Names & identifiers
- Preferred name
- 5-isopropyl-2-{4-[(1R,2R)-2-({[4-(methylsulfonyl)benzyl]oxy}methyl)cyclopropyl]piperidin-1-yl}pyrimidine
- IUPAC
- 2-[4-[(1R,2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]cyclopropyl]piperidin-1-yl]-5-propan-2-ylpyrimidine
Names & synonyms
SCHEMBL14299820JZBLUMHTPMOFKQ-NZQKXSOJSA-N5-isopropyl-2-{4-[(1R,2R)-2-({[4-(methylsulfonyl)benzyl]oxy}methyl)cyclopropyl]piperidin-1-yl}pyrimidine
Database identifiers
- PubChem CID
- 71128804
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 656
Related reactions
1 records
Compound notes
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