butyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate
Chemical Structure Depiction of
butyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate
butyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate
Compound characteristics
| Compound ID: | 4123-0159 |
| Compound Name: | butyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate |
| Molecular Weight: | 290.32 |
| Molecular Formula: | C15 H18 N2 O4 |
| Smiles: | CCCCOC(CCN1C(c2ccccc2C(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2188 |
| logD: | 1.2057 |
| logSw: | -2.4164 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.516 |
| InChI Key: | LKQQLTUSZYWCIR-UHFFFAOYSA-N |