![N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]thiourea, 95%, (99% ee)](https://resource.alfa-chemistry.com/structure/620960-27-2.gif)
Synonyms
620960-27-2;SCHEMBL4298777;1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R)-2alpha-(isoindoline-2-yl)cyclohexane-1beta-yl]thiourea;N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]thiourea, 95%, (99% ee);
IUPAC Name
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2R)-2-(1,3-dihydroisoindol-2-yl)cyclohexyl]thiourea;
Molecular Weight
487.508g/mol
Molecular Formula
C23H23F6N3S;
Canonical SMILES
C1CCC(C(C1)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3CC4=CC=CC=C4C3;
InChI
InChI=1S/C23H23F6N3S/c24-22(25,26)16-9-17(23(27,28)29)11-18(10-16)30-21(33)31-19-7-3-4-8-20(19)32-12-14-5-1-2-6-15(14)13-32/h1-2,5-6,9-11,19-20H,3-4,7-8,12-13H2,(H2,30,31,33)/t19-,20-/m1/s1;
InChI Key
KIDBBKIWFZMJNT-WOJBJXKFSA-N;
Complexity
648
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
487.152g/mol
H-Bond Acceptor
8
H-Bond Donor
2
Heavy Atom Count
33
Monoisotopic Mass
487.152g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
59.4A^2
