ethyl 4-(3-cyano-7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydroquinolin-1(2H)-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(3-cyano-7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydroquinolin-1(2H)-yl)benzoate
ethyl 4-(3-cyano-7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydroquinolin-1(2H)-yl)benzoate
Compound characteristics
| Compound ID: | F454-0066 |
| Compound Name: | ethyl 4-(3-cyano-7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydroquinolin-1(2H)-yl)benzoate |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C21 H20 N2 O4 |
| Smiles: | CCOC(c1ccc(cc1)N1C2CC(C)(C)CC(C=2C=C(C#N)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8683 |
| logD: | 2.8683 |
| logSw: | -3.1128 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.39 |
| InChI Key: | BEEMZEJDHAAPFQ-UHFFFAOYSA-N |