2-methyl-N-{6-[rel-(5aR,8aR)-7-(pyridine-3-sulfonyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}propanamide
Chemical Structure Depiction of
2-methyl-N-{6-[rel-(5aR,8aR)-7-(pyridine-3-sulfonyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}propanamide
2-methyl-N-{6-[rel-(5aR,8aR)-7-(pyridine-3-sulfonyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}propanamide
Compound characteristics
| Compound ID: | SD16-0971 |
| Compound Name: | 2-methyl-N-{6-[rel-(5aR,8aR)-7-(pyridine-3-sulfonyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}propanamide |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C22 H29 N5 O3 S |
| Smiles: | CC(C)C(Nc1ccc(nc1)N1CCCC[C@@H]2CN(C[C@H]12)S(c1cccnc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6797 |
| logD: | 2.6795 |
| logSw: | -2.8194 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.465 |
| InChI Key: | CGCSJXCWBFSGSK-FXAWDEMLSA-N |