Name: Name:Thiourea, N,N''-[(1R,2R)-1,2-diphenyl-1,2-ethanediyl]bis[N'-[3,5-bis(trifluoromethyl)phenyl]-
Brand: Angene
SKU: AG0003YA
Rating: 90 (10 reviews)

Thiourea, N,N''-[(1R,2R)-1,2-diphenyl-1,2-ethanediyl]bis[N'-[3,5-bis(trifluoromethyl)phenyl]-

CAS No.:

1012051-90-9

Catalog Number:

AG0003YA

Molecular Formula:

C32H22F12N4S2

Molecular Weight:

754.6547

Catalog Number:

AG0003YA

Chemical Name:

Thiourea, N,N''-[(1R,2R)-1,2-diphenyl-1,2-ethanediyl]bis[N'-[3,5-bis(trifluoromethyl)phenyl]-

CAS Number:

1012051-90-9

Molecular Formula:

C32H22F12N4S2

Molecular Weight:

754.6547

MDL Number:

MFCD31707548

IUPAC Name:

1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-1,2-diphenylethyl]thiourea

InChI:

InChI=1S/C32H22F12N4S2/c33-29(34,35)19-11-20(30(36,37)38)14-23(13-19)45-27(49)47-25(17-7-3-1-4-8-17)26(18-9-5-2-6-10-18)48-28(50)46-24-15-21(31(39,40)41)12-22(16-24)32(42,43)44/h1-16,25-26H,(H2,45,47,49)(H2,46,48,50)/t25-,26-/m1/s1

InChI Key:

IUKNKFBADHHIQJ-CLJLJLNGSA-N

SMILES:

S=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N[C@@H]([C@@H](c1ccccc1)NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1

Complexity:

987

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

754.109g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

754.657g/mol

Monoisotopic Mass:

754.109g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

112A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

9.4