(7S,9aS)-8-[3-(1,3-benzothiazol-2-yl)propanoyl]-7-methyl-2-(2-methylpropyl)hexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione
Chemical Structure Depiction of
(7S,9aS)-8-[3-(1,3-benzothiazol-2-yl)propanoyl]-7-methyl-2-(2-methylpropyl)hexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione
(7S,9aS)-8-[3-(1,3-benzothiazol-2-yl)propanoyl]-7-methyl-2-(2-methylpropyl)hexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione
Compound characteristics
| Compound ID: | S975-0668 |
| Compound Name: | (7S,9aS)-8-[3-(1,3-benzothiazol-2-yl)propanoyl]-7-methyl-2-(2-methylpropyl)hexahydro-2H-pyrazino[1,2-a]pyrazine-1,6-dione |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C22 H28 N4 O3 S |
| Smiles: | CC(C)CN1CCN2C([C@H](C)N(C[C@H]2C1=O)C(CCc1nc2ccccc2s1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.3904 |
| logD: | 2.3904 |
| logSw: | -2.5404 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.55 |
| InChI Key: | YBDSUDUDSKYPNS-DOTOQJQBSA-N |