Synonyms
SCHEMBL16274227;1314743-49-1;1-[3,5-Bis(trifluoromethyl)phenyl]-3-(2alpha-pyrrolizinocyclohexane-1beta-yl)thiourea;1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-2-(pyrrolidin-1-yl)cyclohexyl]thiourea, 98%, (99% ee);
IUPAC Name
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]thiourea;
Molecular Weight
439.464g/mol
Molecular Formula
C19H23F6N3S;
Canonical SMILES
C1CCC(C(C1)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3CCCC3;
InChI
InChI=1S/C19H23F6N3S/c20-18(21,22)12-9-13(19(23,24)25)11-14(10-12)26-17(29)27-15-5-1-2-6-16(15)28-7-3-4-8-28/h9-11,15-16H,1-8H2,(H2,26,27,29)/t15-,16-/m1/s1;
InChI Key
BSICYYMKFDEOFB-HZPDHXFCSA-N;
Complexity
539
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
439.152g/mol
H-Bond Acceptor
8
H-Bond Donor
2
Heavy Atom Count
29
Monoisotopic Mass
439.152g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
59.4A^2
