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
- Formal charge
- 0
- Complexity
- 876
Related reactions
4 records
Compound notes
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