Name: Name:3-[2-oxo-2-(piperidin-1-yl)ethoxy]-5-phenylthiophene-2-carboxylic acid
Brand: Angene
SKU: AG019V3H
Rating: 90 (10 reviews)

3-[2-oxo-2-(piperidin-1-yl)ethoxy]-5-phenylthiophene-2-carboxylic acid

CAS No.:

1181458-89-8

Catalog Number:

AG019V3H

Molecular Formula:

C18H19NO4S

Molecular Weight:

345.4128

Catalog Number:

AG019V3H

Chemical Name:

3-[2-oxo-2-(piperidin-1-yl)ethoxy]-5-phenylthiophene-2-carboxylic acid

CAS Number:

1181458-89-8

Molecular Formula:

C18H19NO4S

Molecular Weight:

345.4128

MDL Number:

MFCD12197339

IUPAC Name:

3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxylic acid

InChI:

InChI=1S/C18H19NO4S/c20-16(19-9-5-2-6-10-19)12-23-14-11-15(24-17(14)18(21)22)13-7-3-1-4-8-13/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H,21,22)

InChI Key:

OGGVOECRHLFWNP-UHFFFAOYSA-N

SMILES:

O=C(N1CCCCC1)COc1cc(sc1C(=O)O)c1ccccc1

Complexity:

446

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

345.103g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

345.413g/mol

Monoisotopic Mass:

345.103g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5