2-(3,3,5-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)cyclohexane-1,3-dione
Chemical Structure Depiction of
2-(3,3,5-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)cyclohexane-1,3-dione
2-(3,3,5-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 8010-0232 |
| Compound Name: | 2-(3,3,5-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)cyclohexane-1,3-dione |
| Molecular Weight: | 283.37 |
| Molecular Formula: | C18 H21 N O2 |
| Smiles: | Cc1cccc2C(=C3C(CCCC3=O)=O)NC(C)(C)Cc12 |
| Stereo: | ACHIRAL |
| logP: | 3.2377 |
| logD: | 2.8947 |
| logSw: | -3.6979 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.098 |
| InChI Key: | FUCLEWUZYHCHJS-UHFFFAOYSA-N |