N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-2500 |
| Compound Name: | N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 463.53 |
| Molecular Formula: | C17 H14 F N7 O2 S3 |
| Smiles: | CCSc1nnc(NC(CSC2NC(c3cnn(c4ccc(cc4)F)c3N=2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4818 |
| logD: | 3.4189 |
| logSw: | -3.654 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.507 |
| InChI Key: | DITBMZJARXHXGQ-UHFFFAOYSA-N |