5-(1-Methyl-1-phenyl-ethylcarbamoyl)-3-(2-nitro-benzoylamino)-thieno[2,3-c]pyrazole-1-carboxylic Acid ethyl Ester

HCID 57737260

Basic information

Standard SMILES
CCOC(=O)n1nc(NC(=O)c2ccccc2[N+](=O)[O-])c2cc(C(=O)NC(C)(C)c3ccccc3)sc21
InChIKey
TVLPDDGVUUJUGI-UHFFFAOYSA-N
Molecular formula
C25H23N5O6S
Average molar mass
521.5 g/mol

Names & identifiers

Preferred name
5-(1-Methyl-1-phenyl-ethylcarbamoyl)-3-(2-nitro-benzoylamino)-thieno[2,3-c]pyrazole-1-carboxylic Acid ethyl Ester
IUPAC
ethyl 3-[(2-nitrobenzoyl)amino]-5-(2-phenylpropan-2-ylcarbamoyl)thieno[3,2-d]pyrazole-1-carboxylate

Names & synonyms

SCHEMBL1779446SCHEMBL12603552TVLPDDGVUUJUGI-UHFFFAOYSA-N5-(1-Methyl-1-phenyl-ethylcarbamoyl)-3-(2-nitro-benzoylamino)-thieno[2,3-c]pyrazole-1-carboxylic Acid ethyl Ester

Database identifiers

PubChem CID
57737260

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
176 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
37

Related reactions

4 records

Compound notes

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