N-cyclohexylmethyl-4-(2-propynyloxy)-3,5-dimethoxybenzenethioamide

HCID 57701142
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Basic information

Standard SMILES
C#CCOc1c(OC)cc(C(=S)NCC2CCCCC2)cc1OC
InChIKey
TZAJAWJMPHRRLU-UHFFFAOYSA-N
Molecular formula
C19H25NO3S
Average molar mass
347.5 g/mol

Names & identifiers

Preferred name
N-cyclohexylmethyl-4-(2-propynyloxy)-3,5-dimethoxybenzenethioamide
IUPAC
N-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzenecarbothioamide

Names & synonyms

SCHEMBL4246299TZAJAWJMPHRRLU-UHFFFAOYSA-NN-cyclohexylmethyl-4-(2-propynyloxy)-3,5-dimethoxybenzenethioamide

Database identifiers

PubChem CID
57701142

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
71.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
24

Related reactions

2 records
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Compound notes

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