Basic information
- Standard SMILES
Cc1cc(C(=O)N(C)CC(O)CN2CCCC2)c(/C=C2\C(=O)Nc3cccc(-c4cccc(F)c4F)c32)[nH]1- InChIKey
TYIAWFXDJWDYDY-HMAPJEAMSA-N- Molecular formula
- C29H30F2N4O3
- Average molar mass
- 520.6 g/mol
- Monoisotopic mass
- 520.22859716
Names & identifiers
- Preferred name
- 2-[4-(2,3-Difluoro-phenyl)-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic Acid (2-Hydroxy-3-pyrrolidin-1-yl-propyl)-methyl-amide
- IUPAC
- 2-[(Z)-[4-(2,3-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N,5-dimethyl-1H-pyrrole-3-carboxamide
Names & synonyms
TYIAWFXDJWDYDY-HMAPJEAMSA-N2-[4-(2,3-Difluoro-phenyl)-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic Acid (2-Hydroxy-3-pyrrolidin-1-yl-propyl)-methyl-amide2-[4-(2,3-Difluorophenyl)-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid (2-hydroxy-3-pyrrolidin-1-yl-propyl)-methyl-amide
Database identifiers
- PubChem CID
- 60061386
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 897
Related reactions
1 records
Compound notes
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