2-[2-amino-3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-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-3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile
2-[2-amino-3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-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: | 8017-5359 |
| Compound Name: | 2-[2-amino-3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile |
| Molecular Weight: | 543.64 |
| Molecular Formula: | C29 H29 N5 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1c(C#N)c2C3CCN(CC3)c2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1553 |
| logD: | 3.1553 |
| logSw: | -3.3343 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.639 |
| InChI Key: | CWSUYGIGFUNCIZ-QHCPKHFHSA-N |