(7S,9aS)-7-benzyl-8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2-(2-methoxyethyl)hexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione
Chemical Structure Depiction of
(7S,9aS)-7-benzyl-8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2-(2-methoxyethyl)hexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione
(7S,9aS)-7-benzyl-8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2-(2-methoxyethyl)hexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione
Compound characteristics
| Compound ID: | S975-0581 |
| Compound Name: | (7S,9aS)-7-benzyl-8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2-(2-methoxyethyl)hexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C23 H29 N5 O4 |
| Smiles: | Cc1cc(C(N2C[C@H]3C(N(CCN3C([C@@H]2Cc2ccccc2)=O)CCOC)=O)=O)n(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.4176 |
| logD: | 0.4176 |
| logSw: | -1.5816 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.595 |
| InChI Key: | QHGGFVVEOLMTGO-UXHICEINSA-N |