Basic information
- Standard SMILES
Cc1c(C=C2C(=O)Nc3cc(NC(=O)C(C)O)c(F)cc32)[nH]c2c1C(=O)N(CCN1CCCCC1)CCC2- InChIKey
ZHRIRSFFZIXBKG-UHFFFAOYSA-N- Molecular formula
- C28H34FN5O4
- Average molar mass
- 523.6 g/mol
- Monoisotopic mass
- 523.25948274
Names & identifiers
- Preferred name
- N-{5-fluoro-3-[3-methyl-4-oxo-5-(2-piperidin-1-yl-ethyl)-1,4,5,6,7,8-hexahydro-pyrrolo[3,2-c]azepin-2-ylmethylene]-2-oxo-2,3-dihydro-1H-indol-6-yl}-2-hydroxy-propionamide
- IUPAC
- N-[5-fluoro-3-[[3-methyl-4-oxo-5-(2-piperidin-1-ylethyl)-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-hydroxypropanamide
Names & synonyms
SCHEMBL3136661ZHRIRSFFZIXBKG-UHFFFAOYSA-NN-{5-fluoro-3-[3-methyl-4-oxo-5-(2-piperidin-1-yl-ethyl)-1,4,5,6,7,8-hexahydro-pyrrolo[3,2-c]azepin-2-ylmethylene]-2-oxo-2,3-dihydro-1H-indol-6-yl}-2-hydroxy-propionamide
Database identifiers
- PubChem CID
- 68524941
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 940
Related reactions
1 records
Compound notes
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