AC1LUAWH
2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
Also Known As: BAS 05290769|2-[5-(benzothiazol-2-ylthiomethyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-(2-h ydroxyethoxy)ethyl]acetamide|2-((5-((benzo[d]thiazol-2-ylthio)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-(2-hydroxyethoxy)ethyl)acetamide|2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide|2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
| Molecular Formula | C17H21N5O3S3 |
|---|---|
| Molecular Weight | 439.08066 g/mol |
| LogP | 1.9343 |
| Topological Polar Surface Area | 102.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 439.08066 |
| Monoisotopic Mass | 439.08066 |
| Heavy Atoms | 28 |
| Complexity | 881.47015 |
Chemical Identifiers
| CAS Number | 433701-29-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NCCOCCO)CSC2=NC3=CC=CC=C3S2 |
Product Overview
AC1LUAWH (CAS 433701-29-2), with molecular formula C17H21N5O3S3 and molecular weight 439.08066 g/mol. IUPAC: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide.