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1020665-73-9 | Benzenesulfonamide, N-[(1R,2R)-2-[[[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]thioxomethyl]amino]-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)-
CAS No: 1020665-73-9 Catalog No: AG0006H8 MDL No:
Product Description
Catalog Number:
AG0006H8
Chemical Name:
Benzenesulfonamide, N-[(1R,2R)-2-[[[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]thioxomethyl]amino]-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)-
CAS Number:
1020665-73-9
Molecular Formula:
C31H34F6N4O2S2
Molecular Weight:
672.7477
IUPAC Name:
1-[(1R,2R)-2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-1,2-diphenylethyl]-3-[(1R,2R)-2-(dimethylamino)cyclohexyl]thiourea
InChI:
InChI=1S/C31H34F6N4O2S2/c1-41(2)26-16-10-9-15-25(26)38-29(44)39-27(20-11-5-3-6-12-20)28(21-13-7-4-8-14-21)40-45(42,43)24-18-22(30(32,33)34)17-23(19-24)31(35,36)37/h3-8,11-14,17-19,25-28,40H,9-10,15-16H2,1-2H3,(H2,38,39,44)/t25-,26-,27-,28-/m1/s1
InChI Key:
ZRDOOGDGPMAXLS-BIYDSLDMSA-N
SMILES:
S=C(N[C@@H]([C@@H](c1ccccc1)NS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1)N[C@@H]1CCCC[C@H]1N(C)C
Properties
Complexity:
1030
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
672.203g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
672.749g/mol
Monoisotopic Mass:
672.203g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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