D05QCE structure

D05QCE

methyl 4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoate

Also Known As: Chymase inhibitors (cardiovascular disease)|J2.036.742C|Chymase inhibitors (cardiovascular disease), Toa Eiyo|methyl 4-(5-fluoro-3-methylbenzo[b]thiophene-2-sulfonylamino)-3-methanesulfonylbenzoate|methyl 4-(5-fluoro-3-methyl-1-benzothiophene-2-sulfonamido)-3-methanesulfonylbenzoate|Methyl 4-[(5-fluoro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoate|3-(Methylsulfonyl)-4-(3-methyl-5-fluorobenzo[b]thiophene-2-ylsulfonylamino)benzoic acid methyl ester|4-(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonylamino)-3-methanesulfonyl-benzoic acid methyl ester

CAS: 404963-90-2
Molecular Formula C18H16FNO6S3
Molecular Weight 457.0124 g/mol
LogP 3.33972
Topological Polar Surface Area 106.61 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 5
Exact Mass 457.0124
Monoisotopic Mass 457.0124
Heavy Atoms 29
Complexity 1343.4187

Chemical Identifiers

CAS Number 404963-90-2
SMILES CC1=C(SC2=C1C=C(C=C2)F)S(=O)(=O)NC3=C(C=C(C=C3)C(=O)OC)S(=O)(=O)C

Product Overview

D05QCE (CAS 404963-90-2), with molecular formula C18H16FNO6S3 and molecular weight 457.0124 g/mol. IUPAC: methyl 4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoate.

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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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