Name: Name:2-{[5-(4-chlorophenoxymethyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG01A0OR
Rating: 90 (10 reviews)

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

CAS No.:

862901-00-6

Catalog Number:

AG01A0OR

Molecular Formula:

C16H14ClN3O4S

Molecular Weight:

379.8181

Catalog Number:

AG01A0OR

Chemical Name:

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

CAS Number:

862901-00-6

Molecular Formula:

C16H14ClN3O4S

Molecular Weight:

379.8181

MDL Number:

MFCD05245376

IUPAC Name:

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

InChI:

InChI=1S/C16H14ClN3O4S/c17-11-3-5-12(6-4-11)24-9-14-18-19-16(25-10-15(21)22)20(14)8-13-2-1-7-23-13/h1-7H,8-10H2,(H,21,22)

InChI Key:

YZYQXBURXYOQLZ-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

Complexity:

440

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

379.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

379.815g/mol

Monoisotopic Mass:

379.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

116A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7