200,000+ products from a single source!
sales@angenechem.com
Home > Sulfanilamide > 1132639-45-2
1132639-45-2 | 3-[4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-diethylbenzene-1-sulfonamide
CAS No: 1132639-45-2 Catalog No: AG019HGY MDL No:
Product Description
Catalog Number:
AG019HGY
Chemical Name:
3-[4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-diethylbenzene-1-sulfonamide
CAS Number:
1132639-45-2
Molecular Formula:
C21H30N4O2S2
Molecular Weight:
434.6185
IUPAC Name:
3-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide
InChI:
InChI=1S/C21H30N4O2S2/c1-4-24(5-2)29(26,27)18-8-6-7-17(13-18)20-22-23-21(28)25(20)14(3)19-12-15-9-10-16(19)11-15/h6-8,13-16,19H,4-5,9-12H2,1-3H3,(H,23,28)
InChI Key:
ZEZOGAVEVYFGGU-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1cccc(c1)c1nnc(n1C(C1CC2CC1CC2)C)S)CC
Properties
Complexity:
759
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.181g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
434.617g/mol
Monoisotopic Mass:
434.181g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.