N-{(3S,7S,8aS)-2-[(4-cyanophenyl)methyl]-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Chemical Structure Depiction of
N-{(3S,7S,8aS)-2-[(4-cyanophenyl)methyl]-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
N-{(3S,7S,8aS)-2-[(4-cyanophenyl)methyl]-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Compound characteristics
| Compound ID: | S974-1199 |
| Compound Name: | N-{(3S,7S,8aS)-2-[(4-cyanophenyl)methyl]-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide |
| Molecular Weight: | 326.4 |
| Molecular Formula: | C18 H22 N4 O2 |
| Smiles: | CC(N[C@H]1C[C@H]2CN(Cc3ccc(C#N)cc3)[C@@H](C)C(N2C1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.3189 |
| logD: | 0.2776 |
| logSw: | -1.825 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.063 |
| InChI Key: | ATAICABJYSRHNA-VUCTXSBTSA-N |