(3S,7S,8aS)-7-(dimethylamino)-2-(3-fluorobenzene-1-sulfonyl)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Chemical Structure Depiction of
(3S,7S,8aS)-7-(dimethylamino)-2-(3-fluorobenzene-1-sulfonyl)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
(3S,7S,8aS)-7-(dimethylamino)-2-(3-fluorobenzene-1-sulfonyl)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Compound characteristics
| Compound ID: | S974-2266 |
| Compound Name: | (3S,7S,8aS)-7-(dimethylamino)-2-(3-fluorobenzene-1-sulfonyl)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one |
| Molecular Weight: | 355.43 |
| Molecular Formula: | C16 H22 F N3 O3 S |
| Smiles: | C[C@H]1C(N2C[C@H](C[C@H]2CN1S(c1cccc(c1)F)(=O)=O)N(C)C)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9896 |
| logD: | -0.439 |
| logSw: | -2.3883 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.925 |
| InChI Key: | ZRDKRBQMRNPQHN-IACUBPJLSA-N |