N-[(3S,7S,8aS)-2-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Chemical Structure Depiction of
N-[(3S,7S,8aS)-2-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
N-[(3S,7S,8aS)-2-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Compound characteristics
| Compound ID: | S974-0188 |
| Compound Name: | N-[(3S,7S,8aS)-2-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C19 H29 N5 O3 |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1C(c1cc(C)n(C)n1)=O)NC(C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.2899 |
| logD: | 0.2899 |
| logSw: | -1.4086 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.604 |
| InChI Key: | YKHGEONGTHMYTC-VYDXJSESSA-N |