Name: Name:(R)-Methyl 5-(6-(hydroxyMethyl)-1H-benzo[d]iMidazol-1-yl)-3-(1-(2-(trifluoroMethyl)phenyl)ethoxy)thiophene-2-carboxylate
Brand: Angene
SKU: AG00GTWM
Rating: 90 (10 reviews)

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

CAS No.:

929095-39-6

Catalog Number:

AG00GTWM

Molecular Formula:

C23H19F3N2O4S

Molecular Weight:

476.4682

Catalog Number:

AG00GTWM

Chemical Name:

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

CAS Number:

929095-39-6

Molecular Formula:

C23H19F3N2O4S

Molecular Weight:

476.4682

MDL Number:

MFCD18642700

IUPAC Name:

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

InChI:

InChI=1S/C23H19F3N2O4S/c1-13(15-5-3-4-6-16(15)23(24,25)26)32-19-10-20(33-21(19)22(30)31-2)28-12-27-17-8-7-14(11-29)9-18(17)28/h3-10,12-13,29H,11H2,1-2H3/t13-/m1/s1

InChI Key:

OWGOKWWPGFCCLE-CYBMUJFWSA-N

SMILES:

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

Complexity:

685

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

476.102g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

476.47g/mol

Monoisotopic Mass:

476.102g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.2