(7S,9aS)-2-(2-methoxyethyl)-8-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-7-methylhexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione
Chemical Structure Depiction of
(7S,9aS)-2-(2-methoxyethyl)-8-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-7-methylhexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione
(7S,9aS)-2-(2-methoxyethyl)-8-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-7-methylhexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione
Compound characteristics
| Compound ID: | S975-0385 |
| Compound Name: | (7S,9aS)-2-(2-methoxyethyl)-8-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-7-methylhexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C22 H27 N5 O5 |
| Smiles: | C[C@H]1C(N2CCN(CCOC)C([C@@H]2CN1C(c1cc(c2ccc(cc2)OC)n[nH]1)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9535 |
| logD: | 0.9523 |
| logSw: | -2.0164 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.216 |
| InChI Key: | ZFQPDFXEIJEYSN-KUHUBIRLSA-N |