(3S,7S,8aS)-7-(dimethylamino)-2-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Chemical Structure Depiction of
(3S,7S,8aS)-7-(dimethylamino)-2-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
(3S,7S,8aS)-7-(dimethylamino)-2-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Compound characteristics
| Compound ID: | S974-0497 |
| Compound Name: | (3S,7S,8aS)-7-(dimethylamino)-2-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C16 H25 N5 O2 |
| Smiles: | Cc1cc(C(N2C[C@@H]3C[C@@H](CN3C([C@@H]2C)=O)N(C)C)=O)nn1C |
| Stereo: | ABSOLUTE |
| logP: | -0.4769 |
| logD: | -2.1816 |
| logSw: | -0.5542 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.572 |
| InChI Key: | LTBUEMRMAUHDCJ-XQQFMLRXSA-N |