3,4,4-trichlorobut-3-en-2-yl 4-[(2,4-dimethoxypyrimidin-5-yl)amino]-4-oxobutanoate
Chemical Structure Depiction of
3,4,4-trichlorobut-3-en-2-yl 4-[(2,4-dimethoxypyrimidin-5-yl)amino]-4-oxobutanoate
3,4,4-trichlorobut-3-en-2-yl 4-[(2,4-dimethoxypyrimidin-5-yl)amino]-4-oxobutanoate
Compound characteristics
| Compound ID: | 8008-7127 |
| Compound Name: | 3,4,4-trichlorobut-3-en-2-yl 4-[(2,4-dimethoxypyrimidin-5-yl)amino]-4-oxobutanoate |
| Molecular Weight: | 412.65 |
| Molecular Formula: | C14 H16 Cl3 N3 O5 |
| Smiles: | CC(C(=C([Cl])[Cl])[Cl])OC(CCC(Nc1cnc(nc1OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8301 |
| logD: | 2.8285 |
| logSw: | -3.4663 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.253 |
| InChI Key: | CQONLQLBQYMUQC-ZETCQYMHSA-N |