N-{(7S,8aS)-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Chemical Structure Depiction of
N-{(7S,8aS)-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
N-{(7S,8aS)-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide
Compound characteristics
| Compound ID: | S974-1995 |
| Compound Name: | N-{(7S,8aS)-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}acetamide |
| Molecular Weight: | 345.4 |
| Molecular Formula: | C18 H23 N3 O4 |
| Smiles: | CC(N[C@H]1C[C@H]2CN(CC(N2C1)=O)Cc1ccc2c(c1)OCCO2)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.7376 |
| logD: | -1.2492 |
| logSw: | -1.8428 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.766 |
| InChI Key: | ZIRHXQCTMQTFFI-CABCVRRESA-N |