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304863-82-9 | 3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-4-(3,4-dimethoxyphenyl)-, ethyl ester
CAS No: 304863-82-9 Catalog No: AG0030AM MDL No:MFCD01912221
Product Description
Catalog Number:
AG0030AM
Chemical Name:
3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-4-(3,4-dimethoxyphenyl)-, ethyl ester
CAS Number:
304863-82-9
Molecular Formula:
C17H18ClNO5S
Molecular Weight:
383.8465
MDL Number:
MFCD01912221
IUPAC Name:
ethyl 2-[(2-chloroacetyl)amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
InChI:
InChI=1S/C17H18ClNO5S/c1-4-24-17(21)15-11(9-25-16(15)19-14(20)8-18)10-5-6-12(22-2)13(7-10)23-3/h5-7,9H,4,8H2,1-3H3,(H,19,20)
InChI Key:
PYGKATOYZZLXKW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(scc1c1ccc(c(c1)OC)OC)NC(=O)CCl
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.059g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.843g/mol
Monoisotopic Mass:
383.059g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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