(3S,7S,8aS)-7-(dimethylamino)-2-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(2-methylpropyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Chemical Structure Depiction of
(3S,7S,8aS)-7-(dimethylamino)-2-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(2-methylpropyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
(3S,7S,8aS)-7-(dimethylamino)-2-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(2-methylpropyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Compound characteristics
| Compound ID: | S974-0584 |
| Compound Name: | (3S,7S,8aS)-7-(dimethylamino)-2-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(2-methylpropyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one |
| Molecular Weight: | 375.51 |
| Molecular Formula: | C20 H33 N5 O2 |
| Smiles: | CCn1c(C)c(cn1)C(N1C[C@@H]2C[C@@H](CN2C([C@@H]1CC(C)C)=O)N(C)C)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3411 |
| logD: | -0.3636 |
| logSw: | -1.5809 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.371 |
| InChI Key: | HNTJODLHUBDEKS-RYRKJORJSA-N |