4,4,5,5,5-pentafluoropentyl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxobutanoate
Chemical Structure Depiction of
4,4,5,5,5-pentafluoropentyl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxobutanoate
4,4,5,5,5-pentafluoropentyl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxobutanoate
Compound characteristics
| Compound ID: | 8008-7574 |
| Compound Name: | 4,4,5,5,5-pentafluoropentyl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxobutanoate |
| Molecular Weight: | 415.31 |
| Molecular Formula: | C15 H18 F5 N3 O5 |
| Smiles: | COc1cc(NC(CCC(=O)OCCCC(C(F)(F)F)(F)F)=O)nc(n1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8033 |
| logD: | 2.2891 |
| logSw: | -3.182 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.768 |
| InChI Key: | HPXQFUARGFOSJK-UHFFFAOYSA-N |