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Home > Other Building Blocks > 199587-91-2
199587-91-2 | 2,4(1H,3H)-Quinazolinedione, 1-methyl-3-(phenylmethyl)-
CAS No: 199587-91-2 Catalog No: AG002C6W MDL No:
Product Description
Catalog Number:
AG002C6W
Chemical Name:
2,4(1H,3H)-Quinazolinedione, 1-methyl-3-(phenylmethyl)-
CAS Number:
199587-91-2
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
IUPAC Name:
3-benzyl-1-methylquinazoline-2,4-dione
InChI:
InChI=1S/C16H14N2O2/c1-17-14-10-6-5-9-13(14)15(19)18(16(17)20)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChI Key:
GQUIIZWIFBXOSS-UHFFFAOYSA-N
SMILES:
O=c1n(Cc2ccccc2)c(=O)c2c(n1C)cccc2
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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