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1432515-21-3 | N-(2,4-dimethoxybenzyl)-2-oxo-N-(thiazol-2-yl)-2,3-dihydrobenzo[d]oxazole-6-sulfonamide
CAS No: 1432515-21-3 Catalog No: AG01CCSV MDL No:
Product Description
Catalog Number:
AG01CCSV
Chemical Name:
N-(2,4-dimethoxybenzyl)-2-oxo-N-(thiazol-2-yl)-2,3-dihydrobenzo[d]oxazole-6-sulfonamide
CAS Number:
1432515-21-3
Molecular Formula:
C19H17N3O6S2
Molecular Weight:
447.4848
IUPAC Name:
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-N-(1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
InChI:
InChI=1S/C19H17N3O6S2/c1-26-13-4-3-12(16(9-13)27-2)11-22(18-20-7-8-29-18)30(24,25)14-5-6-15-17(10-14)28-19(23)21-15/h3-10H,11H2,1-2H3,(H,21,23)
InChI Key:
YYEWTZQPYPBALD-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OC)CN(S(=O)(=O)c1ccc2c(c1)oc(=O)[nH]2)c1nccs1
Properties
Complexity:
718
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.056g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
447.48g/mol
Monoisotopic Mass:
447.056g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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