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519150-25-5 | 3-{4-[2,6-bis(propan-2-yl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzene-1-sulfonamide
CAS No: 519150-25-5 Catalog No: AG019HF2 MDL No:MFCD03479135
Product Description
Catalog Number:
AG019HF2
Chemical Name:
3-{4-[2,6-bis(propan-2-yl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-N,N-diethylbenzene-1-sulfonamide
CAS Number:
519150-25-5
Molecular Formula:
C24H32N4O2S2
Molecular Weight:
472.6665
MDL Number:
MFCD03479135
IUPAC Name:
3-[4-[2,6-di(propan-2-yl)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide
InChI:
InChI=1S/C24H32N4O2S2/c1-7-27(8-2)32(29,30)19-12-9-11-18(15-19)23-25-26-24(31)28(23)22-20(16(3)4)13-10-14-21(22)17(5)6/h9-17H,7-8H2,1-6H3,(H,26,31)
InChI Key:
UEJUNSSHLTYPNR-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1cccc(c1)c1nnc(n1c1c(cccc1C(C)C)C(C)C)S)CC
Properties
Complexity:
770
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.197g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
472.666g/mol
Monoisotopic Mass:
472.197g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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