Basic information
- Standard SMILES
Cc1[nH]c(C=NN=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCCCC(=O)O- InChIKey
HJQAGZNXTALQFW-UHFFFAOYSA-N- Molecular formula
- C21H22FN5O4
- Average molar mass
- 427.4 g/mol
- Monoisotopic mass
- 427.16558236
Names & identifiers
- Preferred name
- 5-(5-(((5-fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamido)-pentanoic acid
- IUPAC
- 5-[[5-[[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]pentanoic acid
Names & synonyms
SCHEMBL4409643HJQAGZNXTALQFW-UHFFFAOYSA-N5-(5-(((5-fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamido)-pentanoic acid
Database identifiers
- PubChem CID
- 136387947
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 758
Related reactions
5 records
Compound notes
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