AC1LUHLV
2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Also Known As: Oprea1_343032|Oprea1_348289|AF-399/41219709|2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide|2-((5-((benzo[d]thiazol-2-ylthio)methyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3,4-dimethoxyphenethyl)acetamide|2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide|2-[5-(benzothiazol-2-ylthiomethyl)(1,3,4-oxadiazol-2-ylthio)]-N-[2-(3,4-dimeth oxyphenyl)ethyl]acetamide
| Molecular Formula | C22H22N4O4S3 |
|---|---|
| Molecular Weight | 502.08032 g/mol |
| LogP | 4.4398 |
| Topological Polar Surface Area | 99.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 502.08032 |
| Monoisotopic Mass | 502.08032 |
| Heavy Atoms | 33 |
| Complexity | 1194.3104 |
Chemical Identifiers
| CAS Number | 438481-48-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C(O2)CSC3=NC4=CC=CC=C4S3)OC |
Product Overview
AC1LUHLV (CAS 438481-48-2), with molecular formula C22H22N4O4S3 and molecular weight 502.08032 g/mol. IUPAC: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.