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Home Carboxys (R)-Methyl 5-(6-(pivaloyloxyMethyl)-1H-benzo[d]iMidazol-1-yl)-3-(1-(2-(trifluoroMethyl)phenyl)ethoxy)thiophene-2-carboxylate

(R)-Methyl 5-(6-(pivaloyloxyMethyl)-1H-benzo[d]iMidazol-1-yl)-3-(1-(2-(trifluoroMethyl)phenyl)ethoxy)thiophene-2-carboxylate

CAS No.:
929095-38-5
Catalog Number:
AG00GTWN
Molecular Formula:
C28H27F3N2O5S
Molecular Weight:
560.5846
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Product Description
Catalog Number:
AG00GTWN
Chemical Name:
(R)-Methyl 5-(6-(pivaloyloxyMethyl)-1H-benzo[d]iMidazol-1-yl)-3-(1-(2-(trifluoroMethyl)phenyl)ethoxy)thiophene-2-carboxylate
CAS Number:
929095-38-5
Molecular Formula:
C28H27F3N2O5S
Molecular Weight:
560.5846
MDL Number:
MFCD18642699
IUPAC Name:
methyl 5-[6-(2,2-dimethylpropanoyloxymethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate
InChI:
InChI=1S/C28H27F3N2O5S/c1-16(18-8-6-7-9-19(18)28(29,30)31)38-22-13-23(39-24(22)25(34)36-5)33-15-32-20-11-10-17(12-21(20)33)14-37-26(35)27(2,3)4/h6-13,15-16H,14H2,1-5H3/t16-/m1/s1
InChI Key:
GRURDDMIJOOZMT-MRXNPFEDSA-N
SMILES:
COC(=O)c1sc(cc1O[C@@H](c1ccccc1C(F)(F)F)C)n1cnc2c1cc(COC(=O)C(C)(C)C)cc2
Properties
Complexity:
869  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
560.159g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
560.588g/mol
Monoisotopic Mass:
560.159g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1  
Properties