(3S,7S,8aS)-2-[(3,5-dimethoxyphenyl)methyl]-7-(dimethylamino)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Chemical Structure Depiction of
(3S,7S,8aS)-2-[(3,5-dimethoxyphenyl)methyl]-7-(dimethylamino)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
(3S,7S,8aS)-2-[(3,5-dimethoxyphenyl)methyl]-7-(dimethylamino)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Compound characteristics
| Compound ID: | S974-2222 |
| Compound Name: | (3S,7S,8aS)-2-[(3,5-dimethoxyphenyl)methyl]-7-(dimethylamino)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one |
| Molecular Weight: | 347.46 |
| Molecular Formula: | C19 H29 N3 O3 |
| Smiles: | C[C@H]1C(N2C[C@H](C[C@H]2CN1Cc1cc(cc(c1)OC)OC)N(C)C)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3582 |
| logD: | -0.8795 |
| logSw: | -1.5393 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.423 |
| InChI Key: | RQSMVMUAUBJPBR-IMJJTQAJSA-N |