Basic information
- Standard SMILES
O=C(NCc1ccn(-c2ccc(-n3ccccc3=O)cc2)c1)c1ccc(Cl)s1- InChIKey
GKQLTXHQRWOOSY-UHFFFAOYSA-N- Molecular formula
- C21H16ClN3O2S
- Average molar mass
- 409.9 g/mol
- Monoisotopic mass
- 409.0651756
Names & identifiers
- Preferred name
- 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-pyrrol-3-yl)methyl)thiophene-2-carboxamide
- IUPAC
- 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrol-3-yl]methyl]thiophene-2-carboxamide
Names & synonyms
SCHEMBL3089692GKQLTXHQRWOOSY-UHFFFAOYSA-N5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-pyrrol-3-yl)methyl)thiophene-2-carboxamide
Database identifiers
- PubChem CID
- 59260076
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 648
Related reactions
1 records
Compound notes
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