1-{2-[(6-amino-5-nitropyrimidin-4-yl)oxy]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{2-[(6-amino-5-nitropyrimidin-4-yl)oxy]phenyl}ethan-1-one
1-{2-[(6-amino-5-nitropyrimidin-4-yl)oxy]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | K411-0257 |
| Compound Name: | 1-{2-[(6-amino-5-nitropyrimidin-4-yl)oxy]phenyl}ethan-1-one |
| Molecular Weight: | 274.23 |
| Molecular Formula: | C12 H10 N4 O4 |
| Smiles: | CC(c1ccccc1Oc1c(c(N)ncn1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5573 |
| logD: | 1.5573 |
| logSw: | -2.1874 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.943 |
| InChI Key: | UNYHFPAEHUSSPE-UHFFFAOYSA-N |