Basic information
- CAS
573997-05-4- Standard SMILES
CCOC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCC(C(C)(C)C)C2- InChIKey
VPTMXKYVYUGKKZ-UHFFFAOYSA-N- Molecular formula
- C28H31NO3S
- Average molar mass
- 461.6 g/mol
- Monoisotopic mass
- 461.20246502
Names & identifiers
- Preferred name
- Ethyl 6-tert-butyl-2-[(4-phenylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 6-tert-butyl-2-[(4-phenylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- English name
- ethyl 2-[([1,1'-biphenyl]-4-ylcarbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- Molecular formula
- C28H31NO3S
- Molecular weight
- 461.61564
Names & synonyms
ethyl 2-[(biphenyl-4-ylcarbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateOprea1_253095STK437799AKOS002942858AKOS016197296ethyl 6-tert-butyl-2-[(4-phenylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateST50914310AK-968/11845551573997-05-4ethyl 2-([1,1'-biphenyl]-4-ylcarboxamido)-6-(tert-butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateethyl 2-[([1,1'-biphenyl]-4-ylcarbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 6-(tert-butyl)-2-[(4-phenylphenyl)carbonylamino]-4,5,6,7-tetrahydrobenzo [b]thiophene-3-carboxylate
Database identifiers
- CAS
573997-05-4- PubChem CID
- 2862732
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 675
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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