ethyl 4-[2-ethyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[2-ethyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonyl]piperazine-1-carboxylate
ethyl 4-[2-ethyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | D505-0573 |
| Compound Name: | ethyl 4-[2-ethyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonyl]piperazine-1-carboxylate |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C24 H32 N4 O5 S |
| Smiles: | CCc1ccc(cc1S(N1CCN(CC1)C(=O)OCC)(=O)=O)C1C2CCCCC=2C(N(C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.891 |
| logD: | 3.891 |
| logSw: | -3.8258 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.829 |
| InChI Key: | NXSSSOBREYRZEM-UHFFFAOYSA-N |