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870458-11-0 | Benzamide, 2,4,5-trimethoxy-N-(5-methoxy-2-benzothiazolyl)-
CAS No: 870458-11-0 Catalog No: AG004NJ2 MDL No:
Product Description
Catalog Number:
AG004NJ2
Chemical Name:
Benzamide, 2,4,5-trimethoxy-N-(5-methoxy-2-benzothiazolyl)-
CAS Number:
870458-11-0
Molecular Formula:
C18H18N2O5S
Molecular Weight:
374.4109
IUPAC Name:
2,4,5-trimethoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
InChI:
InChI=1S/C18H18N2O5S/c1-22-10-5-6-16-12(7-10)19-18(26-16)20-17(21)11-8-14(24-3)15(25-4)9-13(11)23-2/h5-9H,1-4H3,(H,19,20,21)
InChI Key:
SWIKCCMGFJOKLI-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(s2)NC(=O)c1cc(OC)c(cc1OC)OC
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.094g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.411g/mol
Monoisotopic Mass:
374.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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