Methyl (Z)-1-acetyl-3-(ethoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate
Basic information
- CAS
1027407-75-5- Standard SMILES
CCO/C(=C1\C(=O)N(C(C)=O)c2cc(C(=O)OC)ccc21)c1ccccc1- InChIKey
NSLGYOTXIPMWNZ-HNENSFHCSA-N- Molecular formula
- C21H19NO5
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.12632271
Names & identifiers
- Preferred name
- Methyl (Z)-1-acetyl-3-(ethoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate
- IUPAC
- methyl (3Z)-1-acetyl-3-[ethoxy(phenyl)methylidene]-2-oxoindole-6-carboxylate
- English name
- Nintedanib Impurity 15
- Molecular formula
- C21H19NO5
- Molecular weight
- 365.38
Names & synonyms
1027407-75-5Methyl (Z)-1-acetyl-3-(ethoxy(phenyl)methylene)-2-oxoindoline-6-carboxylateC6Y6VB7RMCNintedanib Impurity 1UNII-C6Y6VB7RMCmethyl (3Z)-1-acetyl-3-[ethoxy(phenyl)methylidene]-2-oxoindole-6-carboxylateMethyl (Z)-1-Acetyl-3-[ethoxy(phenyl)methylene]-2-oxoindoline-6-carboxylate1H-Indole-6-carboxylic acid, 1-acetyl-3-(ethoxyphenylmethylene)-2,3-dihydro-2-oxo-, methyl ester, (3Z)-(Z)-methyl 1-acetyl-3-(ethoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate1-Acetyl-3-(ethoxyphenylmethylene)-2,3-dihydro-2-oxo-1H-indole-6-carboxylic acid methyl esterMFCD31758466orb3218229
Show more names
Nintedanib impurities4Nintedanib Impurity 15Nintedanib Impurity 173Methyl (3Z)-1-acetyl-3-[ethoxy(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylateMethyl (3Z)-1-acetyI-3-[Methoxy(phenyI)methyIidene]-2- oxo-2,3-dihydro-1H-indoIe-6-carboxyIate
SCHEMBL17147666AC2735SY249660CS-0111572F606698
Database identifiers
- CAS
1027407-75-5- PubChem CID
- 11245484
- UNII
- C6Y6VB7RMC
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 634
Physicochemical properties
- Boiling point
- 555.7 · 555.7±50.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- pka
- -2.31 · -2.31±0.20(Predicted)
- FDA UNII
- 6 Y6VB7RMC · C6Y6VB7RMC
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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