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1246961-13-6 | 1,3(2H,4H)-Isoquinolinedione, 2-[(2-phenyl-5-thiazolyl)methyl]-
CAS No: 1246961-13-6 Catalog No: AG000MML MDL No:
Product Description
Catalog Number:
AG000MML
Chemical Name:
1,3(2H,4H)-Isoquinolinedione, 2-[(2-phenyl-5-thiazolyl)methyl]-
CAS Number:
1246961-13-6
Molecular Formula:
C19H14N2O2S
Molecular Weight:
334.3917
IUPAC Name:
2-[(2-phenyl-1,3-thiazol-5-yl)methyl]-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C19H14N2O2S/c22-17-10-14-8-4-5-9-16(14)19(23)21(17)12-15-11-20-18(24-15)13-6-2-1-3-7-13/h1-9,11H,10,12H2
InChI Key:
LTJMVNHCRKLNPQ-UHFFFAOYSA-N
SMILES:
O=C1Cc2ccccc2C(=O)N1Cc1cnc(s1)c1ccccc1
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.078g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.393g/mol
Monoisotopic Mass:
334.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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