AC1MG488
dimethyl 3-methyl-5-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylate
Also Known As: dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate|dimethyl 3-methyl-5-[({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)amino]thiophene-2,4-dicarboxylate|dimethyl 3-methyl-5-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylate|methyl 5-(methoxycarbonyl)-4-methyl-2-[(thioxo{4-[3-(trifluoromethyl)phenyl]pi perazinyl}methyl)amino]thiophene-3-carboxylate
| Molecular Formula | C21H22F3N3O4S2 |
|---|---|
| Molecular Weight | 501.10037 g/mol |
| LogP | 4.16752 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 501.10037 |
| Monoisotopic Mass | 501.10037 |
| Heavy Atoms | 33 |
| Complexity | 1063.5096 |
Chemical Identifiers
| CAS Number | 701941-48-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C(=O)OC |
Product Overview
AC1MG488 (CAS 701941-48-2), with molecular formula C21H22F3N3O4S2 and molecular weight 501.10037 g/mol. IUPAC: dimethyl 3-methyl-5-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylate.