HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

4-fluoro-2-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)carbonyl]benzenesulfonamide

HCID 58728576
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2cc(F)ccc2S(N)(=O)=O)CC1
InChIKey
GFVKRVXPMPRPNF-UHFFFAOYSA-N
Molecular formula
C35H40FN5O3S
Average molar mass
629.8 g/mol

Names & identifiers

Preferred name
4-fluoro-2-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)carbonyl]benzenesulfonamide
IUPAC
4-fluoro-2-[4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidine-1-carbonyl]benzenesulfonamide

Names & synonyms

SCHEMBL3529250GFVKRVXPMPRPNF-UHFFFAOYSA-N4-fluoro-2-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)carbonyl]benzenesulfonamide

Database identifiers

PubChem CID
58728576

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
110 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
45
Formal charge
0
Complexity
1,140

Related reactions

2 records
New reaction record
HRID 320386 reaction equation
HRID 320386As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1992128 reaction equation
HRID 1992128As productuspto-grants-2010_01

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes