Name: Name:2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG019HTL
Rating: 90 (10 reviews)

2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid

CAS No.:

726152-80-3

Catalog Number:

AG019HTL

Molecular Formula:

C17H13F3N2O2S

Molecular Weight:

366.3575

Catalog Number:

AG019HTL

Chemical Name:

2-{[1-benzyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid

CAS Number:

726152-80-3

Molecular Formula:

C17H13F3N2O2S

Molecular Weight:

366.3575

MDL Number:

MFCD03964588

IUPAC Name:

2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid

InChI:

InChI=1S/C17H13F3N2O2S/c18-17(19,20)12-6-7-14-13(8-12)21-16(25-10-15(23)24)22(14)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,23,24)

InChI Key:

VKQUEGRDPVGATJ-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nc2c(n1Cc1ccccc1)ccc(c2)C(F)(F)F

Complexity:

471

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

366.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

366.358g/mol

Monoisotopic Mass:

366.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4