![N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1S,2S)-2-(1-piperidinyl)cyclohexyl]thiourea, 98%, (99% ee)](https://resource.alfa-chemistry.com/structure/1244061-69-5.gif)
Synonyms
1244061-69-5;1-(2beta-Piperidinocyclohexane-1alpha-yl)-3-[3,5-bis(trifluoromethyl)phenyl]thiourea;N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1S,2S)-2-(1-piperidinyl)cyclohexyl]thiourea, 98%, (99% ee);
IUPAC Name
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-piperidin-1-ylcyclohexyl]thiourea;
Molecular Weight
453.491g/mol
Molecular Formula
C20H25F6N3S;
Canonical SMILES
C1CCN(CC1)C2CCCCC2NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F;
InChI
InChI=1S/C20H25F6N3S/c21-19(22,23)13-10-14(20(24,25)26)12-15(11-13)27-18(30)28-16-6-2-3-7-17(16)29-8-4-1-5-9-29/h10-12,16-17H,1-9H2,(H2,27,28,30)/t16-,17-/m0/s1;
InChI Key
JPNIOHVSKNMMJH-IRXDYDNUSA-N;
Complexity
554
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
453.167g/mol
H-Bond Acceptor
8
H-Bond Donor
2
Heavy Atom Count
30
Monoisotopic Mass
453.167g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
59.4A^2
