Name: Name:(R)-Methyl 5-(6-(chloroMethyl)-1H-benzo[d]iMidazol-1-yl)-3-(1-(2-(trifluoroMethyl)phenyl)ethoxy)thiophene-2-carboxylate
Brand: Angene
SKU: AG00GTWL
Rating: 90 (10 reviews)

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

CAS No.:

929095-40-9

Catalog Number:

AG00GTWL

Molecular Formula:

C23H18ClF3N2O3S

Molecular Weight:

494.9138

Catalog Number:

AG00GTWL

Chemical Name:

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

CAS Number:

929095-40-9

Molecular Formula:

C23H18ClF3N2O3S

Molecular Weight:

494.9138

MDL Number:

MFCD18642701

IUPAC Name:

methyl 5-[6-(chloromethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate

InChI:

InChI=1S/C23H18ClF3N2O3S/c1-13(15-5-3-4-6-16(15)23(25,26)27)32-19-10-20(33-21(19)22(30)31-2)29-12-28-17-8-7-14(11-24)9-18(17)29/h3-10,12-13H,11H2,1-2H3/t13-/m1/s1

InChI Key:

BXRDGJYSXNXZCP-CYBMUJFWSA-N

SMILES:

COC(=O)c1sc(cc1O[C@@H](c1ccccc1C(F)(F)F)C)n1cnc2c1cc(CCl)cc2

Complexity:

688

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

494.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

494.913g/mol

Monoisotopic Mass:

494.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.4