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102688-87-9 | 6H-Pyrimido[4,5-b][1,4]benzothiazin-9-amine, N-hexyl-7,8-dihydro-4-methoxy-7,7-dimethyl-
CAS No: 102688-87-9 Catalog No: AG00084X MDL No:
Product Description
Catalog Number:
AG00084X
Chemical Name:
6H-Pyrimido[4,5-b][1,4]benzothiazin-9-amine, N-hexyl-7,8-dihydro-4-methoxy-7,7-dimethyl-
CAS Number:
102688-87-9
Molecular Formula:
C19H28N4OS
Molecular Weight:
360.5168
IUPAC Name:
N-hexyl-4-methoxy-7,7-dimethyl-8,10-dihydropyrimido[5,4-b][1,4]benzothiazin-9-amine
InChI:
InChI=1S/C19H28N4OS/c1-5-6-7-8-9-20-13-10-19(2,3)11-14-15(13)23-17-16(25-14)18(24-4)22-12-21-17/h11-12,20H,5-10H2,1-4H3,(H,21,22,23)
InChI Key:
DXFPOAYMDKKXJF-UHFFFAOYSA-N
SMILES:
CCCCCCNC1=C2Sc3ncnc(c3N=C2CC(C1)(C)C)OC
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.198g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.52g/mol
Monoisotopic Mass:
360.198g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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