N-[(3S,7S,8aS)-2-acetyl-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]-4-cyanobenzamide
Chemical Structure Depiction of
N-[(3S,7S,8aS)-2-acetyl-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]-4-cyanobenzamide
N-[(3S,7S,8aS)-2-acetyl-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]-4-cyanobenzamide
Compound characteristics
| Compound ID: | S974-2946 |
| Compound Name: | N-[(3S,7S,8aS)-2-acetyl-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]-4-cyanobenzamide |
| Molecular Weight: | 340.38 |
| Molecular Formula: | C18 H20 N4 O3 |
| Smiles: | CC(N1C[C@@H]2C[C@@H](CN2C([C@@H]1C)=O)NC(c1ccc(C#N)cc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.0214 |
| logD: | -0.0214 |
| logSw: | -1.5702 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.382 |
| InChI Key: | VNLUJNPWBAOZIF-XZJROXQQSA-N |