ethyl 2-(2-{[1-(4-chlorophenyl)-4-oxo-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-{[1-(4-chlorophenyl)-4-oxo-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-{[1-(4-chlorophenyl)-4-oxo-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: | C365-0159 |
| Compound Name: | ethyl 2-(2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 530.02 |
| Molecular Formula: | C23 H20 Cl N5 O4 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CSC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.386 |
| logD: | 2.5349 |
| logSw: | -4.9037 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.436 |
| InChI Key: | ZYOOCCBPRRGPTJ-UHFFFAOYSA-N |