Basic information
- Standard SMILES
O=C(O)c1cccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cc3ccccc23)c1- InChIKey
OQCMNIFVSRGCST-UHFFFAOYSA-N- Molecular formula
- C27H18F2N2O5
- Average molar mass
- 488.4 g/mol
Names & identifiers
- Preferred name
- 3-(3-(1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)isoquinolin-1-yl)benzoic acid
- IUPAC
- 3-[3-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]isoquinolin-1-yl]benzoic acid
Names & synonyms
3-(3-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)isoquinolin-1-yl)benzoic acidSCHEMBL30403433-(3-(1-(2,2-di fluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)isoquinolin-1-yl)benzoic acid3-(3-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido) isoquinolin-1-yl)benzoic acid
Database identifiers
- PubChem CID
- 57733008
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 867
Related reactions
7 records
Compound notes
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