4-(4-methylanilino)-6-(3-nitroanilino)-1,3,5-triazin-2-yl morpholine-4-carbodithioate
Chemical Structure Depiction of
4-(4-methylanilino)-6-(3-nitroanilino)-1,3,5-triazin-2-yl morpholine-4-carbodithioate
4-(4-methylanilino)-6-(3-nitroanilino)-1,3,5-triazin-2-yl morpholine-4-carbodithioate
Compound characteristics
| Compound ID: | 3391-6701 |
| Compound Name: | 4-(4-methylanilino)-6-(3-nitroanilino)-1,3,5-triazin-2-yl morpholine-4-carbodithioate |
| Molecular Weight: | 483.57 |
| Molecular Formula: | C21 H21 N7 O3 S2 |
| Smiles: | Cc1ccc(cc1)Nc1nc(Nc2cccc(c2)[N+]([O-])=O)nc(n1)SC(N1CCOCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 6.3023 |
| logD: | 6.3019 |
| logSw: | -5.6299 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.03 |
| InChI Key: | SGVATGTVEHNKQR-UHFFFAOYSA-N |