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380347-76-2 | N-(4-methoxyphenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide
CAS No: 380347-76-2 Catalog No: AG019HB3 MDL No:MFCD03042005
Product Description
Catalog Number:
AG019HB3
Chemical Name:
N-(4-methoxyphenyl)-2-sulfanyl-1,3-benzoxazole-5-sulfonamide
CAS Number:
380347-76-2
Molecular Formula:
C14H12N2O4S2
Molecular Weight:
336.3861
MDL Number:
MFCD03042005
IUPAC Name:
N-(4-methoxyphenyl)-2-sulfanylidene-3H-1,3-benzoxazole-5-sulfonamide
InChI:
InChI=1S/C14H12N2O4S2/c1-19-10-4-2-9(3-5-10)16-22(17,18)11-6-7-13-12(8-11)15-14(21)20-13/h2-8,16H,1H3,(H,15,21)
InChI Key:
GJJYIQJJIOIBKP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)nc(o2)S
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.024g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.38g/mol
Monoisotopic Mass:
336.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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