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606120-31-4 | Isoquinoline, 2-[(2-ethyl-2,3-dihydro-6-methyl-3-oxo-4H-1,4-benzoxazin-4-yl)acetyl]-1,2,3,4-tetrahydro- (9CI)
CAS No: 606120-31-4 Catalog No: AG00EZDB MDL No:
Product Description
Catalog Number:
AG00EZDB
Chemical Name:
Isoquinoline, 2-[(2-ethyl-2,3-dihydro-6-methyl-3-oxo-4H-1,4-benzoxazin-4-yl)acetyl]-1,2,3,4-tetrahydro- (9CI)
CAS Number:
606120-31-4
IUPAC Name:
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-ethyl-6-methyl-1,4-benzoxazin-3-one
InChI:
InChI=1S/C22H24N2O3/c1-3-19-22(26)24(18-12-15(2)8-9-20(18)27-19)14-21(25)23-11-10-16-6-4-5-7-17(16)13-23/h4-9,12,19H,3,10-11,13-14H2,1-2H3
InChI Key:
UNUVGZQGPASELL-UHFFFAOYSA-N
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.179g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.445g/mol
Monoisotopic Mass:
364.179g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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