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30346-04-4 | 7H-Oxazolo[3,2-c]pyrimidin-7-one, 2-[(acetyloxy)methyl]-2,3,5,6-tetrahydro-8-phenyl-5-thioxo-
CAS No: 30346-04-4 Catalog No: AG002ZTS MDL No:
Product Description
Catalog Number:
AG002ZTS
Chemical Name:
7H-Oxazolo[3,2-c]pyrimidin-7-one, 2-[(acetyloxy)methyl]-2,3,5,6-tetrahydro-8-phenyl-5-thioxo-
CAS Number:
30346-04-4
Molecular Formula:
C15H14N2O4S
Molecular Weight:
318.3477
IUPAC Name:
(7-oxo-8-phenyl-5-sulfanylidene-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-2-yl)methyl acetate
InChI:
InChI=1S/C15H14N2O4S/c1-9(18)20-8-11-7-17-14(21-11)12(13(19)16-15(17)22)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,16,19,22)
InChI Key:
GERDHXQHDYJUQD-UHFFFAOYSA-N
SMILES:
CC(=O)OCC1Oc2n(C1)c(=S)[nH]c(=O)c2c1ccccc1
NSC Number:
280852
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.347g/mol
Monoisotopic Mass:
318.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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