2-[2-amino-4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-[2-amino-4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile
2-[2-amino-4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8018-5679 |
| Compound Name: | 2-[2-amino-4-(2H-1,3-benzodioxol-5-yl)-3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile |
| Molecular Weight: | 497.58 |
| Molecular Formula: | C27 H23 N5 O3 S |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2c(C#N)c3C4CCN(CC4)c3s2)c2ccc3c(c2)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3093 |
| logD: | 3.3093 |
| logSw: | -3.6344 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.776 |
| InChI Key: | ASLFRLMOORIYNI-QFIPXVFZSA-N |