Basic information
- CAS
488821-93-8- Standard SMILES
CCOC(=O)c1c(NC(=O)c2nn(C)cc2Cl)sc2c1CCC(C(C)(C)C)C2- InChIKey
CWUXISARQHOXJQ-UHFFFAOYSA-N- Molecular formula
- C20H26ClN3O3S
- Average molar mass
- 424 g/mol
- Monoisotopic mass
- 423.1383406
Names & identifiers
- Preferred name
- ethyl 6-tert-butyl-2-{[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 6-tert-butyl-2-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- English name
- ethyl 6-tert-butyl-2-{[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- Molecular formula
- C20H26ClN3O3S
- Molecular weight
- 423.95674
Names & synonyms
ethyl 6-tert-butyl-2-{[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateOprea1_185935Oprea1_810359AK-968/13408283ethyl 6-tert-butyl-2-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Database identifiers
- CAS
488821-93-8- PubChem CID
- 11838011
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 600
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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