Name: Name:(S)-2-[[(1R,2R)-2-[[[3,5-Bis(tert-butyl)-2-hydroxyphenyl]methylene]amino]cyclohexyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide
Brand: Angene
SKU: AG006YEB
Rating: 90 (10 reviews)

(S)-2-[[(1R,2R)-2-[[[3,5-Bis(tert-butyl)-2-hydroxyphenyl]methylene]amino]cyclohexyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide

CAS No.:

479423-24-0

Catalog Number:

AG006YEB

Molecular Formula:

C36H54N4O2S

Molecular Weight:

606.9046

Catalog Number:

AG006YEB

Chemical Name:

(S)-2-[[(1R,2R)-2-[[[3,5-Bis(tert-butyl)-2-hydroxyphenyl]methylene]amino]cyclohexyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide

CAS Number:

479423-24-0

Molecular Formula:

C36H54N4O2S

Molecular Weight:

606.9046

MDL Number:

MFCD10567036

IUPAC Name:

(2S)-N-benzyl-2-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]carbamothioylamino]-N,3,3-trimethylbutanamide

InChI:

InChI=1S/C36H54N4O2S/c1-34(2,3)26-20-25(30(41)27(21-26)35(4,5)6)22-37-28-18-14-15-19-29(28)38-33(43)39-31(36(7,8)9)32(42)40(10)23-24-16-12-11-13-17-24/h11-13,16-17,20-22,28-29,31,41H,14-15,18-19,23H2,1-10H3,(H2,38,39,43)/t28-,29-,31-/m1/s1

InChI Key:

IJFFARBIZKKZOA-QPWMFTQFSA-N

SMILES:

S=C(N[C@@H](C(C)(C)C)C(=O)N(Cc1ccccc1)C)N[C@@H]1CCCC[C@H]1N/C=C/1\C=C(C=C(C1=O)C(C)(C)C)C(C)(C)C

Complexity:

940

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

606.397g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

606.914g/mol

Monoisotopic Mass:

606.397g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

109A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

8.3