2-(azepan-1-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
Chemical Structure Depiction of
2-(azepan-1-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
2-(azepan-1-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
Compound characteristics
| Compound ID: | G786-0133 |
| Compound Name: | 2-(azepan-1-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine |
| Molecular Weight: | 358.4 |
| Molecular Formula: | C17 H22 N6 O3 |
| Smiles: | COc1ccc(cc1)Nc1c(c(N)nc(n1)N1CCCCCC1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.087 |
| logD: | 4.087 |
| logSw: | -4.3896 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.092 |
| InChI Key: | MRJABXIKCDNHML-UHFFFAOYSA-N |