ethyl 2-(2-{[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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: | F248-0082 |
| Compound Name: | ethyl 2-(2-{[1-(2-hydroxyethyl)-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: | 491.59 |
| Molecular Formula: | C21 H25 N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C(C)SC1NC(c2cnn(CCO)c2N=1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5202 |
| logD: | 0.44 |
| logSw: | -2.8757 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.052 |
| InChI Key: | KLYHANWZJZTLRQ-NSHDSACASA-N |