N-[(3S,7S,8aS)-2-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Chemical Structure Depiction of
N-[(3S,7S,8aS)-2-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
N-[(3S,7S,8aS)-2-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Compound characteristics
| Compound ID: | S974-1506 |
| Compound Name: | N-[(3S,7S,8aS)-2-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C22 H31 N3 O3 |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1Cc1ccc2c(CCO2)c1)NC(C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9936 |
| logD: | 1.5891 |
| logSw: | -2.7483 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.606 |
| InChI Key: | WAQCNVPCRAINTR-AABGKKOBSA-N |