Basic information
- Standard SMILES
CC1=C(C#N)C(c2cc3c(NC(=O)c4ccccc4)nccc3o2)C(C#N)=C(c2ccc(Cl)cc2)N1- InChIKey
AQIIUOMCXBBTJG-UHFFFAOYSA-N- Molecular formula
- C28H18ClN5O2
- Average molar mass
- 491.9 g/mol
- Monoisotopic mass
- 491.1149025
Names & identifiers
- Preferred name
- N-{2-[3,5-Dicyano-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyridin-4-yl]furo[3,2-c]pyridin-4-yl}-benzamide
- IUPAC
- N-[2-[2-(4-chlorophenyl)-3,5-dicyano-6-methyl-1,4-dihydropyridin-4-yl]furo[3,2-c]pyridin-4-yl]benzamide
Names & synonyms
SCHEMBL12649577SCHEMBL14956015AQIIUOMCXBBTJG-UHFFFAOYSA-NN-{2-[3,5-Dicyano-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyridin-4-yl]furo[3,2-c]pyridin-4-yl}-benzamide
Database identifiers
- PubChem CID
- 68338293
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
1 records
Compound notes
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