methyl 2-[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido]benzoate
Chemical Structure Depiction of
methyl 2-[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido]benzoate
methyl 2-[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | Y010-1482 |
| Compound Name: | methyl 2-[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido]benzoate |
| Molecular Weight: | 416.43 |
| Molecular Formula: | C24 H20 N2 O5 |
| Smiles: | COC(c1ccccc1NC(CCCN1C(c2cccc3cccc(C1=O)c23)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8135 |
| logD: | 2.7879 |
| logSw: | -3.6736 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.458 |
| InChI Key: | VIQVHMRMQVBUNW-UHFFFAOYSA-N |