4-(3-methylthiophen-2-yl)-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(3-methylthiophen-2-yl)-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
4-(3-methylthiophen-2-yl)-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8014-4787 |
| Compound Name: | 4-(3-methylthiophen-2-yl)-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 472.58 |
| Molecular Formula: | C26 H20 N2 O3 S2 |
| Smiles: | Cc1ccsc1c1c2CCCCc2nc(c1C#N)SCC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7867 |
| logD: | 5.7867 |
| logSw: | -5.5929 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.107 |
| InChI Key: | HNMQDPZJBHQRCC-UHFFFAOYSA-N |