(3S,7S,8aS)-2-benzoyl-7-(dimethylamino)-3-(2-methylpropyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Chemical Structure Depiction of
(3S,7S,8aS)-2-benzoyl-7-(dimethylamino)-3-(2-methylpropyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
(3S,7S,8aS)-2-benzoyl-7-(dimethylamino)-3-(2-methylpropyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Compound characteristics
| Compound ID: | S974-0572 |
| Compound Name: | (3S,7S,8aS)-2-benzoyl-7-(dimethylamino)-3-(2-methylpropyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one |
| Molecular Weight: | 343.47 |
| Molecular Formula: | C20 H29 N3 O2 |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1C(c1ccccc1)=O)N(C)C)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1364 |
| logD: | 0.4317 |
| logSw: | -2.3423 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.446 |
| InChI Key: | LSLPSYOZKVIWEQ-SQNIBIBYSA-N |