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579517-01-4 | Benzo[b]thiophene-2-carboxamide, 3-chloro-N-cyclohexyl-N-[(5,6-dihydro-6-oxo-1,3-dioxolo[4,5-g]quinolin-7-yl)methyl]- (9CI)
CAS No: 579517-01-4 Catalog No: AG00EOQ0 MDL No:
Product Description
Catalog Number:
AG00EOQ0
Chemical Name:
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-cyclohexyl-N-[(5,6-dihydro-6-oxo-1,3-dioxolo[4,5-g]quinolin-7-yl)methyl]- (9CI)
CAS Number:
579517-01-4
IUPAC Name:
3-chloro-N-cyclohexyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C26H23ClN2O4S/c27-23-18-8-4-5-9-22(18)34-24(23)26(31)29(17-6-2-1-3-7-17)13-16-10-15-11-20-21(33-14-32-20)12-19(15)28-25(16)30/h4-5,8-12,17H,1-3,6-7,13-14H2,(H,28,30)
InChI Key:
IAERRIXOGGGSFH-UHFFFAOYSA-N
Properties
Complexity:
834
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.107g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
494.99g/mol
Monoisotopic Mass:
494.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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