Basic information
- Standard SMILES
CCOC(=O)n1nc(NC(=O)c2ccccc2N)c2cc(C(=O)NC(C)(C)c3ccccc3)sc21- InChIKey
DHBDVLHLUXJTHU-UHFFFAOYSA-N- Molecular formula
- C25H25N5O4S
- Average molar mass
- 491.6 g/mol
Names & identifiers
- Preferred name
- 3-(2-Amino-benzoylamino)-5-(1-methyl-1-phenyl-ethylcarbamoyl)-thieno[2,3-c]pyrazole-1-carboxylic Acid ethyl Ester
- IUPAC
- ethyl 3-[(2-aminobenzoyl)amino]-5-(2-phenylpropan-2-ylcarbamoyl)thieno[3,2-d]pyrazole-1-carboxylate
Names & synonyms
SCHEMBL1780180DHBDVLHLUXJTHU-UHFFFAOYSA-N3-(2-Amino-benzoylamino)-5-(1-methyl-1-phenyl-ethylcarbamoyl)-thieno[2,3-c]pyrazole-1-carboxylic Acid ethyl Ester
Database identifiers
- PubChem CID
- 57737269
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 790
Related reactions
2 records
Compound notes
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