Name: Name:2-(1-benzofuran-2-yl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
Brand: Angene
SKU: AG01EJB0
Rating: 90 (10 reviews)

2-(1-benzofuran-2-yl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid

CAS No.:

1712797-91-5

Catalog Number:

AG01EJB0

Molecular Formula:

C16H15NO3S

Molecular Weight:

301.3602

Catalog Number:

AG01EJB0

Chemical Name:

2-(1-benzofuran-2-yl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid

CAS Number:

1712797-91-5

Molecular Formula:

C16H15NO3S

Molecular Weight:

301.3602

MDL Number:

MFCD31629277

IUPAC Name:

2-(1-benzofuran-2-yl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid

InChI:

InChI=1S/C16H15NO3S/c1-16(2,3)13-12(15(18)19)21-14(17-13)11-8-9-6-4-5-7-10(9)20-11/h4-8H,1-3H3,(H,18,19)

InChI Key:

XDNWEAOCZRFVBX-UHFFFAOYSA-N

SMILES:

OC(=O)c1sc(nc1C(C)(C)C)c1cc2c(o1)cccc2

Complexity:

409

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

301.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.36g/mol

Monoisotopic Mass:

301.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6