rel-(5aR,9aS)-7-[(1-methyl-1H-indol-3-yl)methyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[(1-methyl-1H-indol-3-yl)methyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-7-[(1-methyl-1H-indol-3-yl)methyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0798 |
| Compound Name: | rel-(5aR,9aS)-7-[(1-methyl-1H-indol-3-yl)methyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 384.52 |
| Molecular Formula: | C22 H32 N4 O2 |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)Cc1cn(C)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7112 |
| logD: | -0.197 |
| logSw: | -2.7805 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.124 |
| InChI Key: | CKUNLAUXXWPRDV-ICSRJNTNSA-N |