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102569-59-5 | 4(3H)-Quinazolinone, 3-[(4,5-dihydro-4-oxo-2-thiazolyl)amino]-2-methyl-
CAS No: 102569-59-5 Catalog No: AG0007QY MDL No:
Product Description
Catalog Number:
AG0007QY
Chemical Name:
4(3H)-Quinazolinone, 3-[(4,5-dihydro-4-oxo-2-thiazolyl)amino]-2-methyl-
CAS Number:
102569-59-5
Molecular Formula:
C12H10N4O2S
Molecular Weight:
274.2984
IUPAC Name:
2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H10N4O2S/c1-7-13-9-5-3-2-4-8(9)11(18)16(7)15-12-14-10(17)6-19-12/h2-5H,6H2,1H3,(H,14,15,17)
InChI Key:
RUOXBFBOJMGFDH-UHFFFAOYSA-N
SMILES:
O=C1CSC(=N1)Nn1c(C)nc2c(c1=O)cccc2
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.298g/mol
Monoisotopic Mass:
274.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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