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72632-99-6 | 3-phenyl-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-7-one
CAS No: 72632-99-6 Catalog No: AG019S6Z MDL No:MFCD14729164
Product Description
Catalog Number:
AG019S6Z
Chemical Name:
3-phenyl-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-7-one
CAS Number:
72632-99-6
Molecular Formula:
C11H7N3OS
Molecular Weight:
229.2578
MDL Number:
MFCD14729164
IUPAC Name:
3-phenyl-6H-[1,2]thiazolo[4,5-d]pyrimidin-7-one
InChI:
InChI=1S/C11H7N3OS/c15-11-10-9(12-6-13-11)8(14-16-10)7-4-2-1-3-5-7/h1-6H,(H,12,13,15)
InChI Key:
PYERYCKBJGGKEV-UHFFFAOYSA-N
SMILES:
O=c1[nH]cnc2c1snc2c1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.257g/mol
Monoisotopic Mass:
229.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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