N-[(3S,7S,8aS)-2-(4-ethoxybenzene-1-sulfonyl)-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Chemical Structure Depiction of
N-[(3S,7S,8aS)-2-(4-ethoxybenzene-1-sulfonyl)-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
N-[(3S,7S,8aS)-2-(4-ethoxybenzene-1-sulfonyl)-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Compound characteristics
| Compound ID: | S974-4869 |
| Compound Name: | N-[(3S,7S,8aS)-2-(4-ethoxybenzene-1-sulfonyl)-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C21 H31 N3 O5 S |
| Smiles: | CCOc1ccc(cc1)S(N1C[C@@H]2C[C@@H](CN2C([C@@H]1CC(C)C)=O)NC(C)=O)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0359 |
| logD: | 2.0359 |
| logSw: | -2.6826 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.081 |
| InChI Key: | CHENXKYOMTUJEB-HLIPFELVSA-N |