propan-2-yl 2-[2-(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-[2-(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-[2-(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-3108 |
| Compound Name: | propan-2-yl 2-[2-(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 429.5 |
| Molecular Formula: | C20 H23 N5 O4 S |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(CN1C=Nc2c(cnn2C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4458 |
| logD: | 0.5327 |
| logSw: | -2.9075 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.008 |
| InChI Key: | ZILRMGGBNMOCSO-UHFFFAOYSA-N |