4-(4-methoxyanilino)-6-(3-nitroanilino)-1,3,5-triazin-2-yl diethylcarbamodithioate
Chemical Structure Depiction of
4-(4-methoxyanilino)-6-(3-nitroanilino)-1,3,5-triazin-2-yl diethylcarbamodithioate
4-(4-methoxyanilino)-6-(3-nitroanilino)-1,3,5-triazin-2-yl diethylcarbamodithioate
Compound characteristics
| Compound ID: | 3391-6688 |
| Compound Name: | 4-(4-methoxyanilino)-6-(3-nitroanilino)-1,3,5-triazin-2-yl diethylcarbamodithioate |
| Molecular Weight: | 485.59 |
| Molecular Formula: | C21 H23 N7 O3 S2 |
| Smiles: | CCN(CC)C(=S)Sc1nc(Nc2ccc(cc2)OC)nc(Nc2cccc(c2)[N+]([O-])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.8444 |
| logD: | 6.844 |
| logSw: | -5.894 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.949 |
| InChI Key: | VJLBYWCGFXCFJV-UHFFFAOYSA-N |