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565195-44-0 | 3-[4-(ethoxymethylidene)-1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl]-N,N-diethylbenzene-1-sulfonamide
CAS No: 565195-44-0 Catalog No: AG019HWT MDL No:MFCD03972105
Product Description
Catalog Number:
AG019HWT
Chemical Name:
3-[4-(ethoxymethylidene)-1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl]-N,N-diethylbenzene-1-sulfonamide
CAS Number:
565195-44-0
Molecular Formula:
C22H24N2O5S
Molecular Weight:
428.5014
MDL Number:
MFCD03972105
IUPAC Name:
3-[4-(ethoxymethylidene)-1,3-dioxoisoquinolin-2-yl]-N,N-diethylbenzenesulfonamide
InChI:
InChI=1S/C22H24N2O5S/c1-4-23(5-2)30(27,28)17-11-9-10-16(14-17)24-21(25)19-13-8-7-12-18(19)20(22(24)26)15-29-6-3/h7-15H,4-6H2,1-3H3
InChI Key:
QHJZLRUMGCHVHP-UHFFFAOYSA-N
SMILES:
CCOC=C1C(=O)N(c2cccc(c2)S(=O)(=O)N(CC)CC)C(=O)c2c1cccc2
Properties
Complexity:
769
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.141g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.503g/mol
Monoisotopic Mass:
428.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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