4-(4-methylanilino)-6-(3-nitroanilino)-1,3,5-triazin-2-yl piperidine-1-carbodithioate
Chemical Structure Depiction of
4-(4-methylanilino)-6-(3-nitroanilino)-1,3,5-triazin-2-yl piperidine-1-carbodithioate
4-(4-methylanilino)-6-(3-nitroanilino)-1,3,5-triazin-2-yl piperidine-1-carbodithioate
Compound characteristics
| Compound ID: | 3391-6700 |
| Compound Name: | 4-(4-methylanilino)-6-(3-nitroanilino)-1,3,5-triazin-2-yl piperidine-1-carbodithioate |
| Molecular Weight: | 481.6 |
| Molecular Formula: | C22 H23 N7 O2 S2 |
| Smiles: | Cc1ccc(cc1)Nc1nc(Nc2cccc(c2)[N+]([O-])=O)nc(n1)SC(N1CCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 7.4609 |
| logD: | 7.4606 |
| logSw: | -5.675 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.122 |
| InChI Key: | ZKNJZICFHJUUAE-UHFFFAOYSA-N |