[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate
Chemical Structure Depiction of
[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate
[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate
Compound characteristics
| Compound ID: | 5910-0191 |
| Compound Name: | [4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate |
| Molecular Weight: | 467.61 |
| Molecular Formula: | C22 H25 N7 O S2 |
| Smiles: | COc1ccc(cc1)Nc1nc(CSC(N2CCN(CC2)c2ccccc2)=S)nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5456 |
| logD: | 4.5426 |
| logSw: | -4.3946 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.232 |
| InChI Key: | SBNINZCTEBOHRV-UHFFFAOYSA-N |