[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-methylpiperazine-1-carbodithioate
Chemical Structure Depiction of
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-methylpiperazine-1-carbodithioate
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-methylpiperazine-1-carbodithioate
Compound characteristics
| Compound ID: | 5750-2704 |
| Compound Name: | [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-methylpiperazine-1-carbodithioate |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C16 H20 F N7 S2 |
| Smiles: | CN1CCN(CC1)C(=S)SCc1nc(N)nc(Nc2ccc(cc2)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.775 |
| logD: | 1.9701 |
| logSw: | -3.1373 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.905 |
| InChI Key: | YBPFGQOUIFXUKD-UHFFFAOYSA-N |