(7S,9aS)-7-benzyl-8-(1-ethyl-1H-pyrazole-3-carbonyl)-2-(2-methoxyethyl)hexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione
Chemical Structure Depiction of
(7S,9aS)-7-benzyl-8-(1-ethyl-1H-pyrazole-3-carbonyl)-2-(2-methoxyethyl)hexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione
(7S,9aS)-7-benzyl-8-(1-ethyl-1H-pyrazole-3-carbonyl)-2-(2-methoxyethyl)hexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione
Compound characteristics
| Compound ID: | S975-1130 |
| Compound Name: | (7S,9aS)-7-benzyl-8-(1-ethyl-1H-pyrazole-3-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: | CCn1ccc(C(N2C[C@H]3C(N(CCN3C([C@@H]2Cc2ccccc2)=O)CCOC)=O)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.6955 |
| logD: | 0.6955 |
| logSw: | -1.3265 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.657 |
| InChI Key: | XHVGCJWWUOXJKN-UXHICEINSA-N |