N-[(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)octahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Chemical Structure Depiction of
N-[(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)octahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
N-[(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)octahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Compound characteristics
| Compound ID: | S974-4862 |
| Compound Name: | N-[(3S,7S,8aS)-3-(2-methylpropyl)-4-oxo-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)octahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide |
| Molecular Weight: | 447.6 |
| Molecular Formula: | C23 H33 N3 O4 S |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1S(c1ccc2CCCCc2c1)(=O)=O)NC(C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0081 |
| logD: | 3.0081 |
| logSw: | -3.5632 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.878 |
| InChI Key: | RXGHLSPRYMMIEW-SJBKTWHCSA-N |