2-amino-4-(1-benzofuran-3-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(1-benzofuran-3-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(1-benzofuran-3-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-5624 |
| Compound Name: | 2-amino-4-(1-benzofuran-3-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 333.39 |
| Molecular Formula: | C20 H19 N3 O2 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2)c2coc3ccccc23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7352 |
| logD: | 1.7594 |
| logSw: | -3.1758 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.21 |
| InChI Key: | ODYBAMYTZNZTME-KRWDZBQOSA-N |