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565206-96-4 | 1-(2-ethoxyphenyl)-N,N-diethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
CAS No: 565206-96-4 Catalog No: AG019IFF MDL No:MFCD04610263
Product Description
Catalog Number:
AG019IFF
Chemical Name:
1-(2-ethoxyphenyl)-N,N-diethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
CAS Number:
565206-96-4
Molecular Formula:
C19H23N3O3S2
Molecular Weight:
405.5342
MDL Number:
MFCD04610263
IUPAC Name:
1-(2-ethoxyphenyl)-N,N-diethyl-2-sulfanylidene-3H-benzimidazole-5-sulfonamide
InChI:
InChI=1S/C19H23N3O3S2/c1-4-21(5-2)27(23,24)14-11-12-16-15(13-14)20-19(26)22(16)17-9-7-8-10-18(17)25-6-3/h7-13H,4-6H2,1-3H3,(H,20,26)
InChI Key:
CEMVZEFKJVXSDQ-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1n1c(S)nc2c1ccc(c2)S(=O)(=O)N(CC)CC
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.118g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
405.531g/mol
Monoisotopic Mass:
405.118g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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