butan-2-yl 2-[(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
butan-2-yl 2-[(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
butan-2-yl 2-[(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-7168 |
| Compound Name: | butan-2-yl 2-[(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C23 H28 N4 O3 S |
| Smiles: | CCC(C)OC(c1c2CCCCc2sc1NC(c1cc(C)nc2c1c(C)nn2C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.489 |
| logD: | 0.8193 |
| logSw: | -4.6198 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.984 |
| InChI Key: | XWRGPNRTZNOUAC-ZDUSSCGKSA-N |