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579455-48-4 | Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(1,2-dihydro-6,7-dimethyl-2-oxo-3-quinolinyl)methyl]-N-(2-hydroxyethyl)- (9CI)
CAS No: 579455-48-4 Catalog No: AG00EOMI MDL No:
Product Description
Catalog Number:
AG00EOMI
Chemical Name:
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(1,2-dihydro-6,7-dimethyl-2-oxo-3-quinolinyl)methyl]-N-(2-hydroxyethyl)- (9CI)
CAS Number:
579455-48-4
IUPAC Name:
3-chloro-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C23H21ClN2O3S/c1-13-9-15-11-16(22(28)25-18(15)10-14(13)2)12-26(7-8-27)23(29)21-20(24)17-5-3-4-6-19(17)30-21/h3-6,9-11,27H,7-8,12H2,1-2H3,(H,25,28)
InChI Key:
FALISDCEPBRGMN-UHFFFAOYSA-N
Properties
Complexity:
702
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.096g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
440.942g/mol
Monoisotopic Mass:
440.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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