methyl (4Z)-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate
Basic information
- CAS
6132-61-2- Standard SMILES
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cccc(OC)c1O- InChIKey
XNXNCQUHUSQZOL-YBEGLDIGSA-N- Molecular formula
- C21H20N2O5
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.13722174
Names & identifiers
- Preferred name
- methyl (4Z)-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate
- IUPAC
- methyl (4Z)-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate
Names & synonyms
6132-61-2methyl (4Z)-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylateBAS 02060250DTXSID90417502AKOS000610333BIM-0046956.P001Methyl (4Z)-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-[(pyridin-3-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Database identifiers
- CAS
6132-61-2- PubChem CID
- 5348396
- DTXSID
DTXSID90417502
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 672
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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