2-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-(morpholine-4-sulfonyl)benzoate
Chemical Structure Depiction of
2-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-(morpholine-4-sulfonyl)benzoate
2-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-(morpholine-4-sulfonyl)benzoate
Compound characteristics
| Compound ID: | 1186-0478 |
| Compound Name: | 2-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-(morpholine-4-sulfonyl)benzoate |
| Molecular Weight: | 577.66 |
| Molecular Formula: | C30 H31 N3 O7 S |
| Smiles: | C1CCN(CC1)c1ccc2C(N(CCOC(c3ccc(cc3)S(N3CCOCC3)(=O)=O)=O)C(c3cccc1c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3717 |
| logD: | 4.3716 |
| logSw: | -4.5959 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 92.651 |
| InChI Key: | JFJXXVBRHHDYRZ-UHFFFAOYSA-N |