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77903-13-0 | 2-amino-6-(4-chlorophenyl)-3,7-dihydro-4h-pyrimido[4,5-b][1,4]thiazin-4-one
CAS No: 77903-13-0 Catalog No: AG0056T4 MDL No:
Product Description
Catalog Number:
AG0056T4
Chemical Name:
2-amino-6-(4-chlorophenyl)-3,7-dihydro-4h-pyrimido[4,5-b][1,4]thiazin-4-one
CAS Number:
77903-13-0
Molecular Formula:
C12H9ClN4OS
Molecular Weight:
292.7441
IUPAC Name:
2-amino-6-(4-chlorophenyl)-3,7-dihydropyrimido[4,5-b][1,4]thiazin-4-one
InChI:
InChI=1S/C12H9ClN4OS/c13-7-3-1-6(2-4-7)8-5-19-11-9(15-8)10(18)16-12(14)17-11/h1-4H,5H2,(H3,14,16,17,18)
InChI Key:
FSNDAEJFFZVMJX-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1=Nc2c(SC1)nc([nH]c2=O)N
NSC Number:
133721
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.019g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.741g/mol
Monoisotopic Mass:
292.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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