Name: Name:2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid
Brand: Angene
SKU: AG00I9W1
Rating: 90 (10 reviews)

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

CAS No.:

554404-08-9

Catalog Number:

AG00I9W1

Molecular Formula:

C16H13ClN2O2S

Molecular Weight:

332.8046

Catalog Number:

AG00I9W1

Chemical Name:

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

CAS Number:

554404-08-9

Molecular Formula:

C16H13ClN2O2S

Molecular Weight:

332.8046

MDL Number:

MFCD03964656

IUPAC Name:

2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetic acid

InChI:

InChI=1S/C16H13ClN2O2S/c17-12-6-7-14-13(8-12)18-16(22-10-15(20)21)19(14)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,20,21)

InChI Key:

BGTKFCTXONQEGD-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nc2c(n1Cc1ccccc1)ccc(c2)Cl

Complexity:

392

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

332.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

332.802g/mol

Monoisotopic Mass:

332.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1