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102688-88-0 | 6H-Pyrimido[4,5-b][1,4]benzothiazin-9-amine, N-heptyl-7,8-dihydro-4-methoxy-7,7-dimethyl-
CAS No: 102688-88-0 Catalog No: AG00084W MDL No:
Product Description
Catalog Number:
AG00084W
Chemical Name:
6H-Pyrimido[4,5-b][1,4]benzothiazin-9-amine, N-heptyl-7,8-dihydro-4-methoxy-7,7-dimethyl-
CAS Number:
102688-88-0
Molecular Formula:
C20H30N4OS
Molecular Weight:
374.5434
IUPAC Name:
N-heptyl-4-methoxy-7,7-dimethyl-8,10-dihydropyrimido[5,4-b][1,4]benzothiazin-9-amine
InChI:
InChI=1S/C20H30N4OS/c1-5-6-7-8-9-10-21-14-11-20(2,3)12-15-16(14)24-18-17(26-15)19(25-4)23-13-22-18/h12-13,21H,5-11H2,1-4H3,(H,22,23,24)
InChI Key:
URXBWKZTLQJRCD-UHFFFAOYSA-N
SMILES:
CCCCCCCNC1=C2Sc3ncnc(c3N=C2CC(C1)(C)C)OC
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.214g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.547g/mol
Monoisotopic Mass:
374.214g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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