Name: Name:2-{[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG01A0O7
Rating: 90 (10 reviews)

2-{[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanyl}acetic acid

CAS No.:

893725-55-8

Catalog Number:

AG01A0O7

Molecular Formula:

C16H19N3O2S

Molecular Weight:

317.4060

Catalog Number:

AG01A0O7

Chemical Name:

2-{[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanyl}acetic acid

CAS Number:

893725-55-8

Molecular Formula:

C16H19N3O2S

Molecular Weight:

317.4060

MDL Number:

MFCD07364253

IUPAC Name:

2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetic acid

InChI:

InChI=1S/C16H19N3O2S/c1-11-6-8-19(9-7-11)15-16(22-10-14(20)21)18-13-5-3-2-4-12(13)17-15/h2-5,11H,6-10H2,1H3,(H,20,21)

InChI Key:

JDHJHDZBQJRJJX-UHFFFAOYSA-N

SMILES:

CC1CCN(CC1)c1nc2ccccc2nc1SCC(=O)O

Complexity:

388

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

317.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

317.407g/mol

Monoisotopic Mass:

317.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4