(3S,7S,8aS)-3-benzyl-7-methoxy-2-[3-(2-methoxyphenyl)propanoyl]hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Chemical Structure Depiction of
(3S,7S,8aS)-3-benzyl-7-methoxy-2-[3-(2-methoxyphenyl)propanoyl]hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
(3S,7S,8aS)-3-benzyl-7-methoxy-2-[3-(2-methoxyphenyl)propanoyl]hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Compound characteristics
| Compound ID: | S915-0293 |
| Compound Name: | (3S,7S,8aS)-3-benzyl-7-methoxy-2-[3-(2-methoxyphenyl)propanoyl]hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one |
| Molecular Weight: | 422.52 |
| Molecular Formula: | C25 H30 N2 O4 |
| Smiles: | COc1ccccc1CCC(N1C[C@@H]2C[C@@H](CN2C([C@@H]1Cc1ccccc1)=O)OC)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1304 |
| logD: | 3.1304 |
| logSw: | -3.2177 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.89 |
| InChI Key: | XXSCCMYGPKTMKF-BDTNDASRSA-N |