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40535-18-0 | 5,6-Dihydro-8,9-dimethoxy-3-(phenylmethyl)-3H-naphtho[1,2-e][1,2]thiazin-2(4aH)-one 4,4-dioxide
CAS No: 40535-18-0 Catalog No: AG00CUS9 MDL No:
Product Description
Catalog Number:
AG00CUS9
Chemical Name:
5,6-Dihydro-8,9-dimethoxy-3-(phenylmethyl)-3H-naphtho[1,2-e][1,2]thiazin-2(4aH)-one 4,4-dioxide
CAS Number:
40535-18-0
IUPAC Name:
3-benzyl-8,9-dimethoxy-4,4-dioxo-5,6-dihydro-4aH-benzo[f][1,2]benzothiazin-2-one
InChI:
InChI=1S/C21H21NO5S/c1-26-18-10-15-8-9-20-17(16(15)11-19(18)27-2)12-21(23)22(28(20,24)25)13-14-6-4-3-5-7-14/h3-7,10-12,20H,8-9,13H2,1-2H3
InChI Key:
RIJXBFFBAPQJJA-UHFFFAOYSA-N
Properties
Complexity:
722
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.114g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.461g/mol
Monoisotopic Mass:
399.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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