ethyl 1-[4-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)benzene-1-sulfonyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)benzene-1-sulfonyl]piperidine-4-carboxylate
ethyl 1-[4-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)benzene-1-sulfonyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | C301-5556 |
| Compound Name: | ethyl 1-[4-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)benzene-1-sulfonyl]piperidine-4-carboxylate |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C22 H23 N3 O6 S |
| Smiles: | CCOC(C1CCN(CC1)S(c1ccc(cc1)N1C(c2ccccc2C(N1)=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1672 |
| logD: | 1.1524 |
| logSw: | -2.5642 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.858 |
| InChI Key: | WUCYJUNFWTVNEK-UHFFFAOYSA-N |