6-(azepan-1-yl)-N~2~-[(furan-2-yl)methyl]-5-nitropyrimidine-2,4-diamine
Chemical Structure Depiction of
6-(azepan-1-yl)-N~2~-[(furan-2-yl)methyl]-5-nitropyrimidine-2,4-diamine
6-(azepan-1-yl)-N~2~-[(furan-2-yl)methyl]-5-nitropyrimidine-2,4-diamine
Compound characteristics
| Compound ID: | G786-0056 |
| Compound Name: | 6-(azepan-1-yl)-N~2~-[(furan-2-yl)methyl]-5-nitropyrimidine-2,4-diamine |
| Molecular Weight: | 332.36 |
| Molecular Formula: | C15 H20 N6 O3 |
| Smiles: | C1CCCN(CC1)c1c(c(N)nc(NCc2ccco2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6169 |
| logD: | 3.6168 |
| logSw: | -3.726 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.12 |
| InChI Key: | FNWQADSOYBNCTI-UHFFFAOYSA-N |