Name: Name:2-{[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG01A0OL
Rating: 90 (10 reviews)

2-{[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

CAS No.:

557062-86-9

Catalog Number:

AG01A0OL

Molecular Formula:

C14H12N4O3S

Molecular Weight:

316.3351

Catalog Number:

AG01A0OL

Chemical Name:

2-{[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

CAS Number:

557062-86-9

Molecular Formula:

C14H12N4O3S

Molecular Weight:

316.3351

MDL Number:

MFCD04028387

IUPAC Name:

2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid

InChI:

InChI=1S/C14H12N4O3S/c19-12(20)9-22-14-17-16-13(10-3-5-15-6-4-10)18(14)8-11-2-1-7-21-11/h1-7H,8-9H2,(H,19,20)

InChI Key:

ZRXMJJBBCJEGPU-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nnc(n1Cc1ccco1)c1ccncc1

Complexity:

381

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

316.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

316.335g/mol

Monoisotopic Mass:

316.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

119A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2