Basic information
- Standard SMILES
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2c(Cl)ccc(S(=O)(=O)NC(C)(C)C)c2Cl)CC1- InChIKey
QPEQCSWZPFYDLT-UHFFFAOYSA-N- Molecular formula
- C39H46Cl2FN5O3S
- Average molar mass
- 754.8 g/mol
Names & identifiers
- Preferred name
- 2,4-dichloro-N-(1,1-dimethylethyl)-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]benzenesulfonamide
- IUPAC
- N-tert-butyl-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]benzenesulfonamide
Names & synonyms
SCHEMBL3524741QPEQCSWZPFYDLT-UHFFFAOYSA-N2,4-dichloro-N-(1,1-dimethylethyl)-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]benzenesulfonamide
Database identifiers
- PubChem CID
- 58727971
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,320
Related reactions
1 records
Compound notes
Loading…