2-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-methylbenzoate
Chemical Structure Depiction of
2-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-methylbenzoate
2-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-methylbenzoate
Compound characteristics
| Compound ID: | 1186-0452 |
| Compound Name: | 2-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-methylbenzoate |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C27 H26 N2 O4 |
| Smiles: | Cc1ccc(cc1)C(=O)OCCN1C(c2cccc3c(ccc(C1=O)c23)N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6872 |
| logD: | 5.6872 |
| logSw: | -5.9101 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.032 |
| InChI Key: | SQDBVBJECJQBTL-UHFFFAOYSA-N |