1H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
Basic information
- CAS
1012003-68-7- Standard SMILES
CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1C- InChIKey
GMZKXNOMEXVDFJ-UHFFFAOYSA-N- Molecular formula
- C23H22N4O4
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.1641052
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
- IUPAC
- [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Names & synonyms
DTXSID801038446AKOS0008240161012003-68-71H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
Database identifiers
- CAS
1012003-68-7- PubChem CID
- 24329907
- DTXSID
DTXSID801038446
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 668
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Compound notes
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