N-[(3S,7S,8aS)-2-[3-(1,3-benzothiazol-2-yl)propanoyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Chemical Structure Depiction of
N-[(3S,7S,8aS)-2-[3-(1,3-benzothiazol-2-yl)propanoyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
N-[(3S,7S,8aS)-2-[3-(1,3-benzothiazol-2-yl)propanoyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Compound characteristics
| Compound ID: | S974-0170 |
| Compound Name: | N-[(3S,7S,8aS)-2-[3-(1,3-benzothiazol-2-yl)propanoyl]-3-(2-methylpropyl)-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C23 H30 N4 O3 S |
| Smiles: | CC(C)C[C@H]1C(N2C[C@H](C[C@H]2CN1C(CCc1nc2ccccc2s1)=O)NC(C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5001 |
| logD: | 2.5001 |
| logSw: | -2.6853 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.806 |
| InChI Key: | BJNXYOLOOACPQC-LMMKCTJWSA-N |