Basic information
- Standard SMILES
CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(CCN3C4CCC3CC(n3c(C)nc5ccccc53)C4)(c3cccc(F)c3)CC2)c1Cl- InChIKey
IFDPMSRHHIXQOV-UHFFFAOYSA-N- Molecular formula
- C36H40Cl2FN5O3S
- Average molar mass
- 712.7 g/mol
- Monoisotopic mass
- 711.2212949
Names & identifiers
- Preferred name
- 2,4-dichloro-3-[(4-(3-fluorophenyl)-4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-1-piperidinyl)carbonyl]-N-methylbenzenesulfonamide
- IUPAC
- 2,4-dichloro-3-[4-(3-fluorophenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidine-1-carbonyl]-N-methylbenzenesulfonamide
Names & synonyms
SCHEMBL3527085IFDPMSRHHIXQOV-UHFFFAOYSA-N2,4-dichloro-3-[(4-(3-fluorophenyl)-4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-1-piperidinyl)carbonyl]-N-methylbenzenesulfonamid2,4-dichloro-3-[(4-(3-fluorophenyl)-4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-1-piperidinyl)carbonyl]-N-methylbenzenesulfonamide
Database identifiers
- PubChem CID
- 58727779
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,240
Related reactions
10 records
Compound notes
Loading…