Basic information
- Standard SMILES
N#CC(C(=O)Nc1ccccc1)C(=O)C1(N)NN(c2ccccc2)C2=C1CSc1ccccc12- InChIKey
HTRIFGAMDCXUKW-UHFFFAOYSA-N- Molecular formula
- C26H21N5O2S
- Average molar mass
- 467.5 g/mol
- Monoisotopic mass
- 467.1415961
Names & identifiers
- Preferred name
- 3-(3-Amino-1,4-dihydro-1-phenyl-[1]-benzothiopyrano[4,3-c]pyrazol-3-yl)-2-cyano-3-oxo-N-phenyl-propanamide
- IUPAC
- 3-(3-amino-1-phenyl-2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)-2-cyano-3-oxo-N-phenylpropanamide
Names & synonyms
SCHEMBL9737999HTRIFGAMDCXUKW-UHFFFAOYSA-N3-(3-Amino-1,4-dihydro-1-phenyl-[1]-benzothiopyrano[4,3-c]pyrazol-3-yl)-2-cyano-3-oxo-N-phenyl-propanamide
Database identifiers
- PubChem CID
- 86746366
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 885
Related reactions
1 records
Compound notes
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