Basic information
- Standard SMILES
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2cc(Cl)ccc2S(=O)(=O)NC2CC2)CC1- InChIKey
CURSQXZCXODJHK-UHFFFAOYSA-N- Molecular formula
- C38H44ClN5O3S
- Average molar mass
- 686.3 g/mol
- Monoisotopic mass
- 685.2853392
Names & identifiers
- Preferred name
- 4-chloro-N-cyclopropyl-2-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)carbonyl]benzene sulfonamide
- IUPAC
- 4-chloro-N-cyclopropyl-2-[4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidine-1-carbonyl]benzenesulfonamide
Names & synonyms
SCHEMBL3523651CURSQXZCXODJHK-UHFFFAOYSA-N4-chloro-N-cyclopropyl-2-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo [3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)carbonyl] benzene sulfonamide4-chloro-N-cyclopropyl-2-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)carbonyl]benzene sulfonamide
Database identifiers
- PubChem CID
- 58728795
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,230
Related reactions
2 records
Compound notes
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