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138400-00-7 | 2,4(1H,3H)-Quinazolinedione, 3-(2-mercaptoethyl)-6,7-dimethoxy-
CAS No: 138400-00-7 Catalog No: AG0018QD MDL No:
Product Description
Catalog Number:
AG0018QD
Chemical Name:
2,4(1H,3H)-Quinazolinedione, 3-(2-mercaptoethyl)-6,7-dimethoxy-
CAS Number:
138400-00-7
Molecular Formula:
C12H14N2O4S
Molecular Weight:
282.3156
IUPAC Name:
6,7-dimethoxy-3-(2-sulfanylethyl)-1H-quinazoline-2,4-dione
InChI:
InChI=1S/C12H14N2O4S/c1-17-9-5-7-8(6-10(9)18-2)13-12(16)14(3-4-19)11(7)15/h5-6,19H,3-4H2,1-2H3,(H,13,16)
InChI Key:
BEPLROIHXBINTB-UHFFFAOYSA-N
SMILES:
SCCn1c(=O)[nH]c2c(c1=O)cc(c(c2)OC)OC
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.314g/mol
Monoisotopic Mass:
282.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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