N-[(3S,7S,8aS)-2-(3-chlorobenzoyl)-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Chemical Structure Depiction of
N-[(3S,7S,8aS)-2-(3-chlorobenzoyl)-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
N-[(3S,7S,8aS)-2-(3-chlorobenzoyl)-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
Compound characteristics
| Compound ID: | S974-1138 |
| Compound Name: | N-[(3S,7S,8aS)-2-(3-chlorobenzoyl)-3-methyl-4-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide |
| Molecular Weight: | 349.82 |
| Molecular Formula: | C17 H20 Cl N3 O3 |
| Smiles: | CC(N[C@H]1C[C@H]2CN(C(c3cccc(c3)[Cl])=O)[C@@H](C)C(N2C1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9256 |
| logD: | 0.9256 |
| logSw: | -2.6273 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.757 |
| InChI Key: | KTEACVNWACNJRR-COLVAYQJSA-N |