1-(3-tert-butyl-1-m-tolyl-1H-pyrazol-5-yl)-3-(3-(6-methoxy-7-(2-methoxyethoxy)quinazolin-4-ylthio)phenyl)urea

HCID 44243263

Basic information

Standard SMILES
COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4cccc(C)c4)c3)c2cc1OC
InChIKey
JHCCCWZUODAGLK-UHFFFAOYSA-N
Molecular formula
C33H36N6O4S
Average molar mass
612.7 g/mol

Names & identifiers

Preferred name
1-(3-tert-butyl-1-m-tolyl-1H-pyrazol-5-yl)-3-(3-(6-methoxy-7-(2-methoxyethoxy)quinazolin-4-ylthio)phenyl)urea
IUPAC
1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]sulfanylphenyl]urea

Names & synonyms

SCHEMBL1012413CHEMBL6030804JHCCCWZUODAGLK-UHFFFAOYSA-NBDBM333737US9730937, Example 2871-(3-tert- butyl-1-m- tolyl-1H- pyrazol-5-yl)- 3- (3-(6- methoxy-7-(2- methoxyethoxy) quinazolin-4- ylthio)phenyl) urea1-(3-tert-butyl-1-m-tolyl-1H-pyrazol-5-yl)-3-(3-(6-methoxy-7-(2-methoxyethoxy)quinazolin-4-ylthio)phenyl)urea

Database identifiers

PubChem CID
44243263
ChEMBL
CHEMBL6030804

Properties

Computed structural properties

XLogP
6.7
Topological polar surface area
138 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
11
Heavy atoms
44

Related reactions

4 records

Compound notes

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