(3S,7S,8aS)-2-(5-chloro-2-fluorobenzoyl)-7-(dimethylamino)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Chemical Structure Depiction of
(3S,7S,8aS)-2-(5-chloro-2-fluorobenzoyl)-7-(dimethylamino)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
(3S,7S,8aS)-2-(5-chloro-2-fluorobenzoyl)-7-(dimethylamino)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Compound characteristics
| Compound ID: | S974-2218 |
| Compound Name: | (3S,7S,8aS)-2-(5-chloro-2-fluorobenzoyl)-7-(dimethylamino)-3-methylhexahydropyrrolo[1,2-a]pyrazin-4(1H)-one |
| Molecular Weight: | 353.82 |
| Molecular Formula: | C17 H21 Cl F N3 O2 |
| Smiles: | C[C@H]1C(N2C[C@H](C[C@H]2CN1C(c1cc(ccc1F)[Cl])=O)N(C)C)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7545 |
| logD: | 0.0497 |
| logSw: | -2.9615 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.085 |
| InChI Key: | WJIRODQGKXGIQI-DRZSPHRISA-N |