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21576-25-0 | 4-(4-methoxy-7h-pyrimido[4,5-b][1,4]thiazin-6-yl)aniline
CAS No: 21576-25-0 Catalog No: AG0070MC MDL No:
Product Description
Catalog Number:
AG0070MC
Chemical Name:
4-(4-methoxy-7h-pyrimido[4,5-b][1,4]thiazin-6-yl)aniline
CAS Number:
21576-25-0
Molecular Formula:
C13H12N4OS
Molecular Weight:
272.3256
IUPAC Name:
4-(4-methoxy-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)aniline
InChI:
InChI=1S/C13H12N4OS/c1-18-12-11-13(16-7-15-12)19-6-10(17-11)8-2-4-9(14)5-3-8/h2-5,7H,6,14H2,1H3
InChI Key:
UGKYXFOXLXEOTE-UHFFFAOYSA-N
SMILES:
COc1ncnc2c1N=C(CS2)c1ccc(cc1)N
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.326g/mol
Monoisotopic Mass:
272.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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