Name: Name:2-{[4-(4-ethoxyphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG01A0OK
Rating: 90 (10 reviews)

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

CAS No.:

893725-73-0

Catalog Number:

AG01A0OK

Molecular Formula:

C16H15N3O4S

Molecular Weight:

345.3730

Catalog Number:

AG01A0OK

Chemical Name:

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

CAS Number:

893725-73-0

Molecular Formula:

C16H15N3O4S

Molecular Weight:

345.3730

MDL Number:

MFCD07364259

IUPAC Name:

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

InChI:

InChI=1S/C16H15N3O4S/c1-2-22-12-7-5-11(6-8-12)19-15(13-4-3-9-23-13)17-18-16(19)24-10-14(20)21/h3-9H,2,10H2,1H3,(H,20,21)

InChI Key:

HACMSFLBDUPRPU-UHFFFAOYSA-N

SMILES:

CCOc1ccc(cc1)n1c(SCC(=O)O)nnc1c1ccco1

Complexity:

420

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

345.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

345.373g/mol

Monoisotopic Mass:

345.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

116A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6