Name: Name:ethyl 1-(2-((tert-butoxycarbonyl)amino)ethyl)-3-(2-chloro-4-fluorophenyl)-4-(((trifluoromethyl)sulfonyl)oxy)-1H-pyrazole-5-carboxylate
Brand: Angene
SKU: AG01DH0N
Rating: 90 (10 reviews)

ethyl 1-(2-((tert-butoxycarbonyl)amino)ethyl)-3-(2-chloro-4-fluorophenyl)-4-(((trifluoromethyl)sulfonyl)oxy)-1H-pyrazole-5-carboxylate

CAS No.:

1956366-08-7

Catalog Number:

AG01DH0N

Molecular Formula:

C20H22ClF4N3O7S

Molecular Weight:

559.9162

Catalog Number:

AG01DH0N

Chemical Name:

ethyl 1-(2-((tert-butoxycarbonyl)amino)ethyl)-3-(2-chloro-4-fluorophenyl)-4-(((trifluoromethyl)sulfonyl)oxy)-1H-pyrazole-5-carboxylate

CAS Number:

1956366-08-7

Molecular Formula:

C20H22ClF4N3O7S

Molecular Weight:

559.9162

MDL Number:

MFCD28991974

IUPAC Name:

ethyl 5-(2-chloro-4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-(trifluoromethylsulfonyloxy)pyrazole-3-carboxylate

InChI:

InChI=1S/C20H22ClF4N3O7S/c1-5-33-17(29)15-16(35-36(31,32)20(23,24)25)14(12-7-6-11(22)10-13(12)21)27-28(15)9-8-26-18(30)34-19(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H,26,30)

InChI Key:

SIJWWVXSGLVXHN-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1n(CCNC(=O)OC(C)(C)C)nc(c1OS(=O)(=O)C(F)(F)F)c1ccc(cc1Cl)F

Complexity:

882

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

559.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

559.914g/mol

Monoisotopic Mass:

559.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

134A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6