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1432514-50-5 | N-(2,4-dimethoxybenzyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydrobenzo[d]oxazole-6-sulfonamide
CAS No: 1432514-50-5 Catalog No: AG01CCSE MDL No:
Product Description
Catalog Number:
AG01CCSE
Chemical Name:
N-(2,4-dimethoxybenzyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydrobenzo[d]oxazole-6-sulfonamide
CAS Number:
1432514-50-5
Molecular Formula:
C18H16N4O6S2
Molecular Weight:
448.4728
IUPAC Name:
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-N-(1,2,4-thiadiazol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide
InChI:
InChI=1S/C18H16N4O6S2/c1-26-12-4-3-11(15(7-12)27-2)9-22(17-19-10-20-29-17)30(24,25)13-5-6-14-16(8-13)28-18(23)21-14/h3-8,10H,9H2,1-2H3,(H,21,23)
InChI Key:
DJYNRWQYLQGBMZ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OC)CN(S(=O)(=O)c1ccc2c(c1)oc(=O)[nH]2)c1ncns1
Properties
Complexity:
720
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.051g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
448.468g/mol
Monoisotopic Mass:
448.051g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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