ethyl 1-[2-ethyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonyl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-ethyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonyl]piperidine-3-carboxylate
ethyl 1-[2-ethyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonyl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | D505-0533 |
| Compound Name: | ethyl 1-[2-ethyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonyl]piperidine-3-carboxylate |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C25 H33 N3 O5 S |
| Smiles: | CCc1ccc(cc1S(N1CCCC(C1)C(=O)OCC)(=O)=O)C1C2CCCCC=2C(N(C)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1856 |
| logD: | 4.1856 |
| logSw: | -4.156 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.736 |
| InChI Key: | RSWRPSQHCRACEO-IBGZPJMESA-N |