(3S,7S,8aS)-7-(dimethylamino)-2-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Chemical Structure Depiction of
(3S,7S,8aS)-7-(dimethylamino)-2-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
(3S,7S,8aS)-7-(dimethylamino)-2-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Compound characteristics
| Compound ID: | S974-2454 |
| Compound Name: | (3S,7S,8aS)-7-(dimethylamino)-2-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one |
| Molecular Weight: | 305.42 |
| Molecular Formula: | C16 H27 N5 O |
| Smiles: | Cc1cc(CN2C[C@@H]3C[C@@H](CN3C([C@@H]2C)=O)N(C)C)n(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | -0.4916 |
| logD: | -2.2038 |
| logSw: | -0.5182 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.138 |
| InChI Key: | QUVDIFSHLCEBMZ-GUTXKFCHSA-N |