(3S,7S,8aS)-3-benzyl-7-methoxy-2-[(thiophen-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Chemical Structure Depiction of
(3S,7S,8aS)-3-benzyl-7-methoxy-2-[(thiophen-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
(3S,7S,8aS)-3-benzyl-7-methoxy-2-[(thiophen-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Compound characteristics
| Compound ID: | S915-0253 |
| Compound Name: | (3S,7S,8aS)-3-benzyl-7-methoxy-2-[(thiophen-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one |
| Molecular Weight: | 356.49 |
| Molecular Formula: | C20 H24 N2 O2 S |
| Smiles: | CO[C@H]1C[C@H]2CN(Cc3ccsc3)[C@@H](Cc3ccccc3)C(N2C1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6567 |
| logD: | 2.5795 |
| logSw: | -2.7812 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.0551 |
| InChI Key: | SKAASMYXNBZRLH-QRVBRYPASA-N |