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Home > Thiazole > 1090911-74-2
1090911-74-2 | N-(6-butyl-1,3-benzothiazol-2-yl)-3-[(2-cyanoethyl)sulfamoyl]benzamide
CAS No: 1090911-74-2 Catalog No: AG01DUYP MDL No:
Product Description
Catalog Number:
AG01DUYP
Chemical Name:
N-(6-butyl-1,3-benzothiazol-2-yl)-3-[(2-cyanoethyl)sulfamoyl]benzamide
CAS Number:
1090911-74-2
Molecular Formula:
C21H22N4O3S2
Molecular Weight:
442.5544
IUPAC Name:
N-(6-butyl-1,3-benzothiazol-2-yl)-3-(2-cyanoethylsulfamoyl)benzamide
InChI:
InChI=1S/C21H22N4O3S2/c1-2-3-6-15-9-10-18-19(13-15)29-21(24-18)25-20(26)16-7-4-8-17(14-16)30(27,28)23-12-5-11-22/h4,7-10,13-14,23H,2-3,5-6,12H2,1H3,(H,24,25,26)
InChI Key:
UBTUULLUCUUVOA-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(c1)sc(n2)NC(=O)c1cccc(c1)S(=O)(=O)NCCC#N
Properties
Complexity:
730
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.113g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
442.552g/mol
Monoisotopic Mass:
442.113g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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