Basic information
- Standard SMILES
CC1CCCN1S(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1- InChIKey
YASPRTOTEXLCJJ-UHFFFAOYSA-N- Molecular formula
- C27H27N3O5S
- Average molar mass
- 505.6 g/mol
Names & identifiers
- Preferred name
- 1-(Benzo[d][1,3]dioxol-5-yl)-n-(6-(4-(2-methylpyrrolidin-1-ylsulfonyl)phenyl)pyridin-2-yl)cyclopropanecarboxamide
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-N-[6-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide
Names & synonyms
SCHEMBL1723171YASPRTOTEXLCJJ-UHFFFAOYSA-N1-(benzo[d][1,3]dioxol-5-yl)-n-(6-(4-(2-methylpyrrolidin-1-ylsulfonyl)phenyl)pyridin-2-yl)cyclopropanecarboxamide
Database identifiers
- PubChem CID
- 59166142
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 911
Related reactions
10 records
Compound notes
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