(7S,9aS)-8-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-2-(2-methoxyethyl)-7-methylhexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione
Chemical Structure Depiction of
(7S,9aS)-8-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-2-(2-methoxyethyl)-7-methylhexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione
(7S,9aS)-8-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-2-(2-methoxyethyl)-7-methylhexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione
Compound characteristics
| Compound ID: | S975-0387 |
| Compound Name: | (7S,9aS)-8-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-2-(2-methoxyethyl)-7-methylhexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione |
| Molecular Weight: | 445.9 |
| Molecular Formula: | C21 H24 Cl N5 O4 |
| Smiles: | C[C@H]1C(N2CCN(CCOC)C([C@@H]2CN1C(c1cc(c2cccc(c2)[Cl])n[nH]1)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5103 |
| logD: | 1.5091 |
| logSw: | -2.7137 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.672 |
| InChI Key: | DZKTYHOYURDUBY-SCLBCKFNSA-N |