N-[(3S,7S,8aS)-2-(1H-indole-4-carbonyl)-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Chemical Structure Depiction of
N-[(3S,7S,8aS)-2-(1H-indole-4-carbonyl)-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
N-[(3S,7S,8aS)-2-(1H-indole-4-carbonyl)-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Compound characteristics
| Compound ID: | S974-0132 |
| Compound Name: | N-[(3S,7S,8aS)-2-(1H-indole-4-carbonyl)-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C22 H28 N4 O3 |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1C(c1cccc2c1cc[nH]2)=O)NC(C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7259 |
| logD: | 1.7259 |
| logSw: | -2.433 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.899 |
| InChI Key: | MKDBDFYKHCGTBU-GUXCAODWSA-N |