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571158-98-0 | N,N-diethyl-1-(4-methoxyphenyl)-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
CAS No: 571158-98-0 Catalog No: AG019I97 MDL No:MFCD03986061
Product Description
Catalog Number:
AG019I97
Chemical Name:
N,N-diethyl-1-(4-methoxyphenyl)-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
CAS Number:
571158-98-0
Molecular Formula:
C18H21N3O3S2
Molecular Weight:
391.5076
MDL Number:
MFCD03986061
IUPAC Name:
N,N-diethyl-1-(4-methoxyphenyl)-2-sulfanylidene-3H-benzimidazole-5-sulfonamide
InChI:
InChI=1S/C18H21N3O3S2/c1-4-20(5-2)26(22,23)15-10-11-17-16(12-15)19-18(25)21(17)13-6-8-14(24-3)9-7-13/h6-12H,4-5H2,1-3H3,(H,19,25)
InChI Key:
IJDXEJDLVTVEBR-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1ccc2c(c1)nc(n2c1ccc(cc1)OC)S)CC
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.102g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
391.504g/mol
Monoisotopic Mass:
391.102g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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