methyl 4-(3-cyano-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl)benzoate
Chemical Structure Depiction of
methyl 4-(3-cyano-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl)benzoate
methyl 4-(3-cyano-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl)benzoate
Compound characteristics
| Compound ID: | 1932-0023 |
| Compound Name: | methyl 4-(3-cyano-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl)benzoate |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C21 H22 N2 O3 |
| Smiles: | CC1=C(C#N)C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(cc1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3299 |
| logD: | 0.4289 |
| logSw: | -3.4894 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.151 |
| InChI Key: | UUCHSGMWXCSOKD-GOSISDBHSA-N |