N-{2-[rel-(5aR,8aR)-7-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
Chemical Structure Depiction of
N-{2-[rel-(5aR,8aR)-7-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
N-{2-[rel-(5aR,8aR)-7-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
Compound characteristics
| Compound ID: | SD16-0747 |
| Compound Name: | N-{2-[rel-(5aR,8aR)-7-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C22 H32 N6 O |
| Smiles: | CCn1c(C)c(CN2C[C@H]3CCCCN(c4c(cccn4)NC(C)=O)[C@H]3C2)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3193 |
| logD: | -3.1138 |
| logSw: | -1.9448 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.475 |
| InChI Key: | VRZABWAERDTMME-NQIIRXRSSA-N |