(3S,7S,8aS)-7-(dimethylamino)-3-methyl-2-(2-methylbenzene-1-sulfonyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Chemical Structure Depiction of
(3S,7S,8aS)-7-(dimethylamino)-3-methyl-2-(2-methylbenzene-1-sulfonyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
(3S,7S,8aS)-7-(dimethylamino)-3-methyl-2-(2-methylbenzene-1-sulfonyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Compound characteristics
| Compound ID: | S974-2279 |
| Compound Name: | (3S,7S,8aS)-7-(dimethylamino)-3-methyl-2-(2-methylbenzene-1-sulfonyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one |
| Molecular Weight: | 351.47 |
| Molecular Formula: | C17 H25 N3 O3 S |
| Smiles: | Cc1ccccc1S(N1C[C@@H]2C[C@@H](CN2C([C@@H]1C)=O)N(C)C)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0585 |
| logD: | -0.3701 |
| logSw: | -2.1772 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.925 |
| InChI Key: | VZYVJNHLPSORGQ-RRFJBIMHSA-N |