ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,5-dimethyl-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)-4,5-dimethyl-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)-4,5-dimethyl-6-oxopyrimidin-1(6H)-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | G857-0218 |
| Compound Name: | ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1(6H)-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C24 H29 N5 O4 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CN1C(=NC(C)=C(C)C1=O)n1c(C)cc(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6867 |
| logD: | 0.8122 |
| logSw: | -2.8473 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.511 |
| InChI Key: | ARXIMQHJADJABE-UHFFFAOYSA-N |