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380431-56-1 | N,N-diethyl-1-(2-methoxyphenyl)-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
CAS No: 380431-56-1 Catalog No: AG019HBD MDL No:MFCD03042015
Product Description
Catalog Number:
AG019HBD
Chemical Name:
N,N-diethyl-1-(2-methoxyphenyl)-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
CAS Number:
380431-56-1
Molecular Formula:
C18H21N3O3S2
Molecular Weight:
391.5076
MDL Number:
MFCD03042015
IUPAC Name:
N,N-diethyl-1-(2-methoxyphenyl)-2-sulfanylidene-3H-benzimidazole-5-sulfonamide
InChI:
InChI=1S/C18H21N3O3S2/c1-4-20(5-2)26(22,23)13-10-11-15-14(12-13)19-18(25)21(15)16-8-6-7-9-17(16)24-3/h6-12H,4-5H2,1-3H3,(H,19,25)
InChI Key:
IZLROWJSGFPQLX-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1ccc2c(c1)nc(n2c1ccccc1OC)S)CC
Properties
Complexity:
603
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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