6-(azepan-1-yl)-N~2~-(4-ethoxyphenyl)-5-nitropyrimidine-2,4-diamine
Chemical Structure Depiction of
6-(azepan-1-yl)-N~2~-(4-ethoxyphenyl)-5-nitropyrimidine-2,4-diamine
6-(azepan-1-yl)-N~2~-(4-ethoxyphenyl)-5-nitropyrimidine-2,4-diamine
Compound characteristics
| Compound ID: | G786-0055 |
| Compound Name: | 6-(azepan-1-yl)-N~2~-(4-ethoxyphenyl)-5-nitropyrimidine-2,4-diamine |
| Molecular Weight: | 372.43 |
| Molecular Formula: | C18 H24 N6 O3 |
| Smiles: | CCOc1ccc(cc1)Nc1nc(c(c(n1)N1CCCCCC1)[N+]([O-])=O)N |
| Stereo: | ACHIRAL |
| logP: | 4.698 |
| logD: | 4.698 |
| logSw: | -4.3494 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.173 |
| InChI Key: | IGQREPDUISVTDW-UHFFFAOYSA-N |