(3S,7S,8aS)-7-(dimethylamino)-3-(2-methylpropyl)-2-(3-phenylpropanoyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Chemical Structure Depiction of
(3S,7S,8aS)-7-(dimethylamino)-3-(2-methylpropyl)-2-(3-phenylpropanoyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
(3S,7S,8aS)-7-(dimethylamino)-3-(2-methylpropyl)-2-(3-phenylpropanoyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
Compound characteristics
| Compound ID: | S974-0558 |
| Compound Name: | (3S,7S,8aS)-7-(dimethylamino)-3-(2-methylpropyl)-2-(3-phenylpropanoyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one |
| Molecular Weight: | 371.52 |
| Molecular Formula: | C22 H33 N3 O2 |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1C(CCc1ccccc1)=O)N(C)C)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7575 |
| logD: | 1.0528 |
| logSw: | -3.0197 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.919 |
| InChI Key: | VWSZDLPJEJYAIL-AABGKKOBSA-N |