Oprea1_611199 structure

Oprea1_611199

methyl 2-[(3,5-difluorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Also Known As: Oprea1_611199|AK-968/15252207|methyl 2-[(3,5-difluorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|methyl 2-(3,5-difluorobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|methyl 2-{[(3,5-difluorophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

CAS: 445284-34-4
Molecular Formula C18H17F2NO3S
Molecular Weight 365.08972 g/mol
LogP 4.3341
Topological Polar Surface Area 55.4 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 3
Exact Mass 365.08972
Monoisotopic Mass 365.08972
Heavy Atoms 25
Complexity 811.71893

Chemical Identifiers

CAS Number 445284-34-4
SMILES COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=CC(=C3)F)F

Product Overview

Oprea1_611199 (CAS 445284-34-4), with molecular formula C18H17F2NO3S and molecular weight 365.08972 g/mol. IUPAC: methyl 2-[(3,5-difluorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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