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2-[(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl)amino]-N-cyclohexyl-N-phenylthioacetamide

HCID 9843075
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC12CCC(C1)C(C)(C)C2NCC(=S)N(c1ccccc1)C1CCCCC1
InChIKey
GUOOOKGOQHZUQB-UHFFFAOYSA-N
Molecular formula
C24H36N2S
Average molar mass
384.6 g/mol

Names & identifiers

Preferred name
2-[(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl)amino]-N-cyclohexyl-N-phenylthioacetamide
IUPAC
N-cyclohexyl-N-phenyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethanethioamide

Names & synonyms

SCHEMBL5993690GUOOOKGOQHZUQB-UHFFFAOYSA-N2-[(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl)amino]-N-cyclohexyl-N-phenylthioacetamide

Database identifiers

PubChem CID
9843075

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
47.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
27
Formal charge
0
Complexity
532

Related reactions

3 records
New reaction record
HRID 51293 reaction equation
HRID 51293As productuspto-grants-2004_03
HRID 809807 reaction equation
HRID 809807As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 890509 reaction equation
HRID 890509As productuspto-grants-2006_02

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes