5-amino-1-[5-(5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-2-methyl-phenyl]-1H-pyrazole-3-carboxylic acid ethyl ester

HCID 11699544
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Basic information

Standard SMILES
CCOC(=O)c1cc(N)n(-c2cc(C(=O)Nc3cc(C(C)(C)C)cc(NS(C)(=O)=O)c3OC)ccc2C)n1
InChIKey
RCISJVBIWAENTA-UHFFFAOYSA-N
Molecular formula
C26H33N5O6S
Average molar mass
543.6 g/mol

Names & identifiers

Preferred name
5-amino-1-[5-(5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-2-methyl-phenyl]-1H-pyrazole-3-carboxylic acid ethyl ester
IUPAC
ethyl 5-amino-1-[5-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-2-methylphenyl]pyrazole-3-carboxylate

Names & synonyms

SCHEMBL4474616RCISJVBIWAENTA-UHFFFAOYSA-N5-amino-1-[5-(5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-2-methyl-phenyl]-1H-pyrazole-3-carboxylic acid ethyl ester

Database identifiers

PubChem CID
11699544

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
163 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
38

Related reactions

2 records
New reaction record

Compound notes

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