2-{[4-butyl-5-(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Chemical Structure Depiction of
2-{[4-butyl-5-(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
2-{[4-butyl-5-(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Compound characteristics
| Compound ID: | Y504-5541 |
| Compound Name: | 2-{[4-butyl-5-(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide |
| Molecular Weight: | 551.69 |
| Molecular Formula: | C25 H29 N9 O2 S2 |
| Smiles: | CCCCn1c(c2cc(C)nc3c2c(C)nn3C)nnc1SCC(NN1C(C)=Nc2c(cc(C)s2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6072 |
| logD: | 2.6063 |
| logSw: | -2.8782 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.352 |
| InChI Key: | QSYQWIZORCTGKQ-UHFFFAOYSA-N |