methyl 4-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamido}benzoate
methyl 4-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | G953-0044 |
| Compound Name: | methyl 4-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamido}benzoate |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C22 H25 N5 O4 |
| Smiles: | CCC1=C(C)N=C(N(CC(Nc2ccc(cc2)C(=O)OC)=O)C1=O)n1c(C)cc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.0425 |
| logD: | 2.0425 |
| logSw: | -2.8014 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.216 |
| InChI Key: | YFRKBMVSPMKTJN-UHFFFAOYSA-N |