N-{(3S,7S,8aS)-2-[(3-chlorophenyl)methyl]-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Chemical Structure Depiction of
N-{(3S,7S,8aS)-2-[(3-chlorophenyl)methyl]-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
N-{(3S,7S,8aS)-2-[(3-chlorophenyl)methyl]-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Compound characteristics
| Compound ID: | S974-1116 |
| Compound Name: | N-{(3S,7S,8aS)-2-[(3-chlorophenyl)methyl]-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide |
| Molecular Weight: | 335.83 |
| Molecular Formula: | C17 H22 Cl N3 O2 |
| Smiles: | CC(N[C@H]1C[C@H]2CN(Cc3cccc(c3)[Cl])[C@@H](C)C(N2C1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3199 |
| logD: | 1.2655 |
| logSw: | -2.553 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.007 |
| InChI Key: | UXGBDYKYKXWZEF-IUIKQTSFSA-N |