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102688-86-8 | 6H-Pyrimido[4,5-b][1,4]benzothiazin-9-amine, 7,8-dihydro-4-methoxy-7,7-dimethyl-N-pentyl-
CAS No: 102688-86-8 Catalog No: AG00084Y MDL No:
Product Description
Catalog Number:
AG00084Y
Chemical Name:
6H-Pyrimido[4,5-b][1,4]benzothiazin-9-amine, 7,8-dihydro-4-methoxy-7,7-dimethyl-N-pentyl-
CAS Number:
102688-86-8
Molecular Formula:
C18H26N4OS
Molecular Weight:
346.4902
IUPAC Name:
4-methoxy-7,7-dimethyl-N-pentyl-8,10-dihydropyrimido[5,4-b][1,4]benzothiazin-9-amine
InChI:
InChI=1S/C18H26N4OS/c1-5-6-7-8-19-12-9-18(2,3)10-13-14(12)22-16-15(24-13)17(23-4)21-11-20-16/h10-11,19H,5-9H2,1-4H3,(H,20,21,22)
InChI Key:
ZYGNZRCOEDOHAQ-UHFFFAOYSA-N
SMILES:
CCCCCNC1=C2Sc3ncnc(c3N=C2CC(C1)(C)C)OC
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.183g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.493g/mol
Monoisotopic Mass:
346.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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