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600122-46-1 | Benzo[b]thiophene-2-carboxamide, 3-chloro-N-(5-ethyl-4-phenyl-2-thiazolyl)- (9CI)
CAS No: 600122-46-1 Catalog No: AG00EOP0 MDL No:
Product Description
Catalog Number:
AG00EOP0
Chemical Name:
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-(5-ethyl-4-phenyl-2-thiazolyl)- (9CI)
CAS Number:
600122-46-1
IUPAC Name:
3-chloro-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C20H15ClN2OS2/c1-2-14-17(12-8-4-3-5-9-12)22-20(26-14)23-19(24)18-16(21)13-10-6-7-11-15(13)25-18/h3-11H,2H2,1H3,(H,22,23,24)
InChI Key:
PBTHWKIFACECEQ-UHFFFAOYSA-N
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.031g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.923g/mol
Monoisotopic Mass:
398.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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