Basic information
- Standard SMILES
CS(=O)(=O)C1=NN(c2cccc(Cl)c2)C2(N3CCOCC3)C(=O)N(c3ccc(I)cc3)CCC12- InChIKey
HDVKZROSUUMBAF-UHFFFAOYSA-N- Molecular formula
- C23H24ClIN4O4S
- Average molar mass
- 614.9 g/mol
Names & identifiers
- Preferred name
- 1-(3-Chloro-phenyl)-6-(4-iodo-phenyl)-3-methanesulfonyl-7a-morpholin-4-yl-1,3a,4,5,6,7a-hexahydro-pyrazolo[3,4-c]pyridin-7-one
- IUPAC
- 1-(3-chlorophenyl)-6-(4-iodophenyl)-3-methylsulfonyl-7a-morpholin-4-yl-4,5-dihydro-3aH-pyrazolo[3,4-c]pyridin-7-one
Names & synonyms
SCHEMBL1999377HDVKZROSUUMBAF-UHFFFAOYSA-N1-(3-chloro-phenyl)-6-(4-iodo-phenyl)-3-methanesulfonyl-7a-morpholin-4-yl-1,3a,4,5,6,7a-hexahydro-pyrazolo[3,4-c]pyridin-7-one
Database identifiers
- PubChem CID
- 22250095
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 916
Related reactions
10 records
Compound notes
Loading…