ethyl 2-(2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C099-0373 |
| Compound Name: | ethyl 2-(2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 541.62 |
| Molecular Formula: | C25 H24 F N5 O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C(C)SC1NC(c2cnn(c3ccc(cc3)F)c2N=1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9181 |
| logD: | 2.8379 |
| logSw: | -4.551 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.283 |
| InChI Key: | YOZXYAWMAMRGFV-ZDUSSCGKSA-N |