Name: Name:2-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG01A0O5
Rating: 90 (10 reviews)

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

CAS No.:

893725-51-4

Catalog Number:

AG01A0O5

Molecular Formula:

C14H15N3O2S

Molecular Weight:

289.3528

Catalog Number:

AG01A0O5

Chemical Name:

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

CAS Number:

893725-51-4

Molecular Formula:

C14H15N3O2S

Molecular Weight:

289.3528

MDL Number:

MFCD07364251

IUPAC Name:

2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetic acid

InChI:

InChI=1S/C14H15N3O2S/c18-12(19)9-20-14-13(17-7-3-4-8-17)15-10-5-1-2-6-11(10)16-14/h1-2,5-6H,3-4,7-9H2,(H,18,19)

InChI Key:

ONDGQNHOGSDAEC-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nc2ccccc2nc1N1CCCC1

Complexity:

349

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

289.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

289.353g/mol

Monoisotopic Mass:

289.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6