Basic information
- CAS
807339-38-4- Standard SMILES
Cn1cccc1C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1- InChIKey
FCTVSPYNBDVBLB-UHFFFAOYSA-N- Molecular formula
- C20H18N4O3
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.13789045
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-carboxylic acid, 1-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
- IUPAC
- [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1-methylpyrrole-2-carboxylate
Names & synonyms
DTXSID601038195AKOS0008298741H-Pyrrole-2-carboxylic acid, 1-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester807339-38-4
Database identifiers
- CAS
807339-38-4- PubChem CID
- 3670586
- DTXSID
DTXSID601038195
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 525
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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