N-[(3S,7S,8aS)-2-[4-(1H-indol-3-yl)butanoyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Chemical Structure Depiction of
N-[(3S,7S,8aS)-2-[4-(1H-indol-3-yl)butanoyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
N-[(3S,7S,8aS)-2-[4-(1H-indol-3-yl)butanoyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Compound characteristics
| Compound ID: | S974-0117 |
| Compound Name: | N-[(3S,7S,8aS)-2-[4-(1H-indol-3-yl)butanoyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide |
| Molecular Weight: | 438.57 |
| Molecular Formula: | C25 H34 N4 O3 |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1C(CCCc1c[nH]c2ccccc12)=O)NC(C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4974 |
| logD: | 2.4974 |
| logSw: | -2.6832 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.461 |
| InChI Key: | VFVSTBBHVMIDEE-QTEQDKRBSA-N |