Name: Name:methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate
Brand: Angene
SKU: AG01E1MN
Rating: 90 (10 reviews)

methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate

CAS No.:

823211-50-3

Catalog Number:

AG01E1MN

Molecular Formula:

C21H18N4O5S2

Molecular Weight:

470.5214

Catalog Number:

AG01E1MN

Chemical Name:

methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate

CAS Number:

823211-50-3

Molecular Formula:

C21H18N4O5S2

Molecular Weight:

470.5214

MDL Number:

MFCD05706947

IUPAC Name:

methyl 2-[[2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

InChI:

InChI=1S/C21H18N4O5S2/c1-11-12(2)32-19(16(11)20(27)28-3)22-15(26)10-31-21-23-17(13-6-4-8-29-13)18(24-25-21)14-7-5-9-30-14/h4-9H,10H2,1-3H3,(H,22,26)

InChI Key:

AEFDQIPDJODTMO-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(NC(=O)CSc2nnc(c(n2)c2ccco2)c2ccco2)sc(c1C)C

Complexity:

674

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

470.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

470.518g/mol

Monoisotopic Mass:

470.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

174A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7