N-{(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Chemical Structure Depiction of
N-{(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
N-{(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Compound characteristics
| Compound ID: | S974-0167 |
| Compound Name: | N-{(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]octahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C22 H28 N4 O5 |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1C(CN1C(=O)Oc2ccccc12)=O)NC(C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9704 |
| logD: | 0.9704 |
| logSw: | -2.0669 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.691 |
| InChI Key: | LSPYKPCLWGDZHI-RYRKJORJSA-N |