Basic information
- Standard SMILES
COc1cc(C)c(S(=O)(=O)N(C)Cc2nnc(C(=O)N(C)Cc3ccc(CN4CCC(OC)C4)cc3)o2)c(C)c1- InChIKey
JPEOIQVKUDBSGG-UHFFFAOYSA-N- Molecular formula
- C28H37N5O6S
- Average molar mass
- 571.7 g/mol
- Monoisotopic mass
- 571.24645509
Names & identifiers
- Preferred name
- 5-({[(4-Methoxy-2,6-dimethylphenyl)sulfonyl](methyl)amino}methyl)-N-{4-[(3-methoxypyrrolidin-1-yl)methyl]benzyl}-N-methyl-1,3,4-oxadiazole-2-carboxamide
- IUPAC
- 5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide
Names & synonyms
SCHEMBL2236364JPEOIQVKUDBSGG-UHFFFAOYSA-N5-({[(4-Methoxy-2,6-dimethylphenyl)sulfonyl](methyl)amino}methyl)-N-{4-[(3-methoxypyrrolidin-1-yl)methyl]benzyl}-N-methyl-1,3,4-oxadiazole-2-carboxamide
Database identifiers
- PubChem CID
- 46176155
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 915
Related reactions
1 records
Compound notes
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