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Home > Thiazole > 1326932-82-4
1326932-82-4 | 6-[(3-methylphenyl)methyl]-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
CAS No: 1326932-82-4 Catalog No: AG00HSPD MDL No:MFCD20528943
Product Description
Catalog Number:
AG00HSPD
Chemical Name:
6-[(3-methylphenyl)methyl]-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
CAS Number:
1326932-82-4
Molecular Formula:
C13H11N3O2S
Molecular Weight:
273.3103
MDL Number:
MFCD20528943
IUPAC Name:
6-[(3-methylphenyl)methyl]-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
InChI:
InChI=1S/C13H11N3O2S/c1-8-3-2-4-9(5-8)6-16-12(17)11-10(7-19-15-11)14-13(16)18/h2-5,7H,6H2,1H3,(H,14,18)
InChI Key:
IKASNOQVJLSQFP-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)Cn1c(=O)[nH]c2c(c1=O)nsc2
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.31g/mol
Monoisotopic Mass:
273.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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