(3S,7S,8aS)-7-(dimethylamino)-2-(3-fluoro-4-methoxybenzoyl)-3-(2-methylpropyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Chemical Structure Depiction of
(3S,7S,8aS)-7-(dimethylamino)-2-(3-fluoro-4-methoxybenzoyl)-3-(2-methylpropyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
(3S,7S,8aS)-7-(dimethylamino)-2-(3-fluoro-4-methoxybenzoyl)-3-(2-methylpropyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Compound characteristics
| Compound ID: | S974-0521 |
| Compound Name: | (3S,7S,8aS)-7-(dimethylamino)-2-(3-fluoro-4-methoxybenzoyl)-3-(2-methylpropyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one |
| Molecular Weight: | 391.48 |
| Molecular Formula: | C21 H30 F N3 O3 |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1C(c1ccc(c(c1)F)OC)=O)N(C)C)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.268 |
| logD: | 0.5632 |
| logSw: | -2.7463 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.077 |
| InChI Key: | CXZITRJCECTOTC-NUJGCVRESA-N |