(3S,7S,8aS)-2-(2,5-difluorobenzoyl)-7-(dimethylamino)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Chemical Structure Depiction of
(3S,7S,8aS)-2-(2,5-difluorobenzoyl)-7-(dimethylamino)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
(3S,7S,8aS)-2-(2,5-difluorobenzoyl)-7-(dimethylamino)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Compound characteristics
Compound ID: | S974-2230 |
Compound Name: | (3S,7S,8aS)-2-(2,5-difluorobenzoyl)-7-(dimethylamino)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one |
Molecular Weight: | 337.37 |
Molecular Formula: | C17 H21 F2 N3 O2 |
Smiles: | C[C@H]1C(N2C[C@H](C[C@H]2CN1C(c1cc(ccc1F)F)=O)N(C)C)=O |
Stereo: | ABSOLUTE |
logP: | 1.2991 |
logD: | -0.4056 |
logSw: | -2.1395 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 35.085 |
InChI Key: | PXPHXCKDIPQQKL-CYZMBNFOSA-N |