ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-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}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | G953-0059 |
| Compound Name: | ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C25 H31 N5 O4 S |
| Smiles: | CCC1=C(C)N=C(N(CC(Nc2c(C(=O)OCC)c3CCCCc3s2)=O)C1=O)n1c(C)cc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0436 |
| logD: | 1.1691 |
| logSw: | -3.1399 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.511 |
| InChI Key: | LNFCUXXTSQUJSY-UHFFFAOYSA-N |