Basic information
- Standard SMILES
CCOC(=O)c1[nH]cc(C#N)c1-c1ccc(-c2sccc2C#N)cc1- InChIKey
UQVKTWWUAICFQK-UHFFFAOYSA-N- Molecular formula
- C19H13N3O2S
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.07284784
Names & identifiers
- Preferred name
- Ethyl 4-cyano-3-[4-(3-cyano(2-thienyl))phenyl]pyrrole-2-carboxylate
- IUPAC
- ethyl 4-cyano-3-[4-(3-cyanothiophen-2-yl)phenyl]-1H-pyrrole-2-carboxylate
Names & synonyms
SCHEMBL4373435UQVKTWWUAICFQK-UHFFFAOYSA-Nethyl 4-cyano-3-[4-(3-cyano(2-thienyl))phenyl]pyrrole-2-carboxylate
Database identifiers
- PubChem CID
- 69020346
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 584
Related reactions
1 records
Compound notes
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