Name: Name:ethyl 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Brand: Angene
SKU: AG01A0TS
Rating: 90 (10 reviews)

ethyl 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

CAS No.:

91759-72-7

Catalog Number:

AG01A0TS

Molecular Formula:

C20H21N3O4S

Molecular Weight:

399.4634

Catalog Number:

AG01A0TS

Chemical Name:

ethyl 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

CAS Number:

91759-72-7

Molecular Formula:

C20H21N3O4S

Molecular Weight:

399.4634

MDL Number:

MFCD00617753

IUPAC Name:

ethyl 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate

InChI:

InChI=1S/C20H21N3O4S/c1-4-27-18(24)13-28-20-22-21-19(23(20)15-8-6-5-7-9-15)14-10-11-16(25-2)17(12-14)26-3/h5-12H,4,13H2,1-3H3

InChI Key:

AJHGKTANWNMFAK-UHFFFAOYSA-N

SMILES:

CCOC(=O)CSc1nnc(n1c1ccccc1)c1ccc(c(c1)OC)OC

Complexity:

492

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

399.125g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

399.465g/mol

Monoisotopic Mass:

399.125g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8