2-(4-benzylpiperazin-1-yl)-N~4~-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine
Chemical Structure Depiction of
2-(4-benzylpiperazin-1-yl)-N~4~-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine
2-(4-benzylpiperazin-1-yl)-N~4~-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine
Compound characteristics
| Compound ID: | G786-0137 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-N~4~-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C23 H27 N7 O3 |
| Smiles: | CCOc1ccc(cc1)Nc1c(c(N)nc(n1)N1CCN(CC1)Cc1ccccc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.294 |
| logD: | 4.1864 |
| logSw: | -4.2076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.882 |
| InChI Key: | QUHCPARHRGPOJG-UHFFFAOYSA-N |