ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | G953-0095 |
| Compound Name: | ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C24 H29 N5 O4 S |
| Smiles: | CCC1=C(C)N=C(N(CC(Nc2c(C(=O)OCC)c3CCCc3s2)=O)C1=O)n1c(C)cc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.6334 |
| logD: | 0.7385 |
| logSw: | -2.8012 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.877 |
| InChI Key: | QHDWAIFZIQQNIA-UHFFFAOYSA-N |