N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F248-0079 |
| Compound Name: | N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 413.5 |
| Molecular Formula: | C13 H15 N7 O3 S3 |
| Smiles: | CCSc1nnc(NC(CSC2NC(c3cnn(CCO)c3N=2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.0839 |
| logD: | 1.0529 |
| logSw: | -2.11 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.276 |
| InChI Key: | SMINMHXOWFQKKL-UHFFFAOYSA-N |