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116584-95-3 | 6,9-dimethoxy-4-propyl-2,3,4a,5,10,10a-hexahydro-4H-naphtho(2,3-b)(1,4)thiazine
CAS No: 116584-95-3 Catalog No: AG009ODB MDL No:
Product Description
Catalog Number:
AG009ODB
Chemical Name:
6,9-dimethoxy-4-propyl-2,3,4a,5,10,10a-hexahydro-4H-naphtho(2,3-b)(1,4)thiazine
CAS Number:
116584-95-3
IUPAC Name:
(4aR,10aR)-6,9-dimethoxy-4-propyl-2,3,4a,5,10,10a-hexahydrobenzo[g][1,4]benzothiazine
InChI:
InChI=1S/C17H25NO2S/c1-4-7-18-8-9-21-17-11-13-12(10-14(17)18)15(19-2)5-6-16(13)20-3/h5-6,14,17H,4,7-11H2,1-3H3/t14-,17-/m1/s1
InChI Key:
YJSMLLBRHQBUOD-RHSMWYFYSA-N
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
307.161g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.452g/mol
Monoisotopic Mass:
307.161g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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