ethyl 2-{2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-{2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | C365-0076 |
| Compound Name: | ethyl 2-{2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 495.58 |
| Molecular Formula: | C23 H21 N5 O4 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CSC1NC(c2cnn(c3ccccc3)c2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6698 |
| logD: | 1.8186 |
| logSw: | -3.965 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.436 |
| InChI Key: | KISKPUAUFSPTRQ-UHFFFAOYSA-N |