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579456-22-7 | Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(1,2-dihydro-7-methoxy-2-oxo-3-quinolinyl)methyl]-N-(2-hydroxyethyl)- (9CI)
CAS No: 579456-22-7 Catalog No: AG00EOOT MDL No:
Product Description
Catalog Number:
AG00EOOT
Chemical Name:
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(1,2-dihydro-7-methoxy-2-oxo-3-quinolinyl)methyl]-N-(2-hydroxyethyl)- (9CI)
CAS Number:
579456-22-7
IUPAC Name:
3-chloro-N-(2-hydroxyethyl)-N-[(7-methoxy-2-oxo-4aH-quinolin-3-yl)methyl]-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C22H19ClN2O4S/c1-29-15-7-6-13-10-14(21(27)24-17(13)11-15)12-25(8-9-26)22(28)20-19(23)16-4-2-3-5-18(16)30-20/h2-7,10-11,13,26H,8-9,12H2,1H3
InChI Key:
STZJVVSPXKURLM-UHFFFAOYSA-N
Properties
Complexity:
837
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.075g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
442.914g/mol
Monoisotopic Mass:
442.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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