methyl 4-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-3-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-3-yl]acetamido}benzoate
methyl 4-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-3-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | G953-0271 |
| Compound Name: | methyl 4-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-3-yl]acetamido}benzoate |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C22 H23 N5 O4 |
| Smiles: | Cc1cc(C)n(C2=NC3CCCC=3C(N2CC(Nc2ccc(cc2)C(=O)OC)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.6099 |
| logD: | 1.6098 |
| logSw: | -2.1923 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.902 |
| InChI Key: | OTDXTSYVUFHHDH-UHFFFAOYSA-N |