Basic information
- Standard SMILES
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(=O)C(C)C)c2)CC1- InChIKey
MPCAWTYDWCTTHF-UHFFFAOYSA-N- Molecular formula
- C39H46ClN5O4S
- Average molar mass
- 716.3 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-N-isobutyryl-5-[(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
- N-[2-chloro-5-[4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidine-1-carbonyl]phenyl]sulfonyl-2-methylpropanamide
Names & synonyms
SCHEMBL3525653MPCAWTYDWCTTHF-UHFFFAOYSA-N2-Chloro-N-isobutyryl-5-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl)-4-phenylpiperidin-1-yl)carbonyl] benzene-sulfonamide2-Chloro-N-isobutyryl-5-[(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
- 58728822
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,300
Related reactions
2 records
Compound notes
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