N-(4-(2-(4-Methyl-1H-pyrazol-1-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide

HCID 86604190

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cnn(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4)c3s2)c1
InChIKey: UKHNZZFPKVFAQT-UHFFFAOYSA-N
Molecular formula: C26H21N5O2S2
Average molar mass: 499.6 g/mol

Names & identifiers

Preferred name: N-(4-(2-(4-Methyl-1H-pyrazol-1-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide
IUPAC: N-[[4-[2-(4-methylpyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide

Names & synonyms

SCHEMBL3564902UKHNZZFPKVFAQT-UHFFFAOYSA-NN-(4-(2-(4-Methyl-1H-pyrazol-1-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide

Database identifiers

PubChem CID: 86604190

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 141 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 35
Formal charge: 0
Complexity: 729

Related reactions

12 records

New reaction record

HRID 114768As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 500887As productuspto-grants-2010_08

HRID 500888As reactantuspto-grants-2010_08

HRID 500889As reactantuspto-grants-2010_08

HRID 803478As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1128960As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1261325As productuspto-grants-2013_06

HRID 1261326As reactantuspto-grants-2013_06

Compound notes

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