N-[(3S,7S,8aS)-2-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Chemical Structure Depiction of
N-[(3S,7S,8aS)-2-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
N-[(3S,7S,8aS)-2-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Compound characteristics
| Compound ID: | S974-0095 |
| Compound Name: | N-[(3S,7S,8aS)-2-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide |
| Molecular Weight: | 333.39 |
| Molecular Formula: | C16 H23 N5 O3 |
| Smiles: | CC(N[C@H]1C[C@H]2CN(C(c3cc(C)nn3C)=O)[C@@H](C)C(N2C1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -1.2017 |
| logD: | -1.2017 |
| logSw: | -1.1485 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.079 |
| InChI Key: | UQNXFHMSBOPEKV-UHTWSYAYSA-N |