ethyl 2-(2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | F248-0081 |
| Compound Name: | ethyl 2-(2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C20 H23 N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSC1NC(c2cnn(CCO)c2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8328 |
| logD: | 0.002 |
| logSw: | -2.4778 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.839 |
| InChI Key: | NGTYSXGKBZISQT-UHFFFAOYSA-N |