AC1LQVDH
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate
Also Known As: {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate|[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate|({4-amino-6-[(4-fluorophenyl)amino](1,3,5-triazin-2-yl)}methylthio)(4-phenylpi perazinyl)methane-1-thione|(4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methyl 4-phenylpiperazine-1-carbodithioate|4-Phenyl-piperazine-1-carbodithioic acid 4-amino-6-(4-fluoro-phenylamino)-[1,3,5]triazin-2-ylmethyl ester
| Molecular Formula | C21H22FN7S2 |
|---|---|
| Molecular Weight | 455.1362 g/mol |
| LogP | 3.6768 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.1362 |
| Monoisotopic Mass | 455.1362 |
| Heavy Atoms | 31 |
| Complexity | 1025.6581 |
Chemical Identifiers
| CAS Number | 577981-31-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=S)SCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N |
Product Overview
AC1LQVDH (CAS 577981-31-8), with molecular formula C21H22FN7S2 and molecular weight 455.1362 g/mol. IUPAC: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate.