tert-butyl {2-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenyl piperidin-1-yl)carbonyl]phenyl}sulfonylcarbamate

HCID 58728709

Basic information

Standard SMILES
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)CC1
InChIKey
RTUGZKNEAVYNAM-UHFFFAOYSA-N
Molecular formula
C40H49N5O5S
Average molar mass
711.9 g/mol

Names & identifiers

Preferred name
tert-butyl {2-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenyl piperidin-1-yl)carbonyl]phenyl}sulfonylcarbamate
IUPAC
tert-butyl N-[2-[4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidine-1-carbonyl]phenyl]sulfonylcarbamate

Names & synonyms

SCHEMBL13543856RTUGZKNEAVYNAM-UHFFFAOYSA-Ntert-butyl {2-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenyl piperidin-1-yl)carbonyl]phenyl}sulfonylcarbamatetert-butyl {2-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)carbonyl]phenyl}sulfonylcarbamate

Database identifiers

PubChem CID
58728709

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
122 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
51

Related reactions

11 records

Compound notes

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