Name: Name:2-{[5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG00DBIJ
Rating: 90 (10 reviews)

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

CAS No.:

537017-56-4

Catalog Number:

AG00DBIJ

Molecular Formula:

C15H12ClN3O3S

Molecular Weight:

349.7921

Catalog Number:

AG00DBIJ

Chemical Name:

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

CAS Number:

537017-56-4

Molecular Formula:

C15H12ClN3O3S

Molecular Weight:

349.7921

MDL Number:

MFCD08444445

IUPAC Name:

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

InChI:

InChI=1S/C15H12ClN3O3S/c16-11-5-3-10(4-6-11)14-17-18-15(23-9-13(20)21)19(14)8-12-2-1-7-22-12/h1-7H,8-9H2,(H,20,21)

InChI Key:

GSUHRTPRFGKPIZ-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nnc(n1Cc1ccco1)c1ccc(cc1)Cl

Complexity:

409

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

349.029g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

349.789g/mol

Monoisotopic Mass:

349.029g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9