Name: Name:(S)-ethyl 4-(1-(3-(3,5-dichlorophenyl)-5-(trifluoroMethylsulfonyloxy)-1H-pyrazol-1-yl)ethyl)benzoate
Brand: Angene
SKU: AG00GTX1
Rating: 90 (10 reviews)

(S)-ethyl 4-(1-(3-(3,5-dichlorophenyl)-5-(trifluoroMethylsulfonyloxy)-1H-pyrazol-1-yl)ethyl)benzoate

CAS No.:

870823-09-9

Catalog Number:

AG00GTX1

Molecular Formula:

C21H17Cl2F3N2O5S

Molecular Weight:

537.3363

Catalog Number:

AG00GTX1

Chemical Name:

(S)-ethyl 4-(1-(3-(3,5-dichlorophenyl)-5-(trifluoroMethylsulfonyloxy)-1H-pyrazol-1-yl)ethyl)benzoate

CAS Number:

870823-09-9

Molecular Formula:

C21H17Cl2F3N2O5S

Molecular Weight:

537.3363

MDL Number:

MFCD22124658

IUPAC Name:

ethyl 4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(trifluoromethylsulfonyloxy)pyrazol-1-yl]ethyl]benzoate

InChI:

InChI=1S/C21H17Cl2F3N2O5S/c1-3-32-20(29)14-6-4-13(5-7-14)12(2)28-19(33-34(30,31)21(24,25)26)11-18(27-28)15-8-16(22)10-17(23)9-15/h4-12H,3H2,1-2H3/t12-/m0/s1

InChI Key:

AXQYETYTUKRFPY-LBPRGKRZSA-N

SMILES:

CCOC(=O)c1ccc(cc1)[C@@H](n1nc(cc1OS(=O)(=O)C(F)(F)F)c1cc(Cl)cc(c1)Cl)C

Complexity:

795

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

536.019g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

537.331g/mol

Monoisotopic Mass:

536.019g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.5