rel-(5aR,9aS)-7-[(1H-indol-4-yl)methyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[(1H-indol-4-yl)methyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-7-[(1H-indol-4-yl)methyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0888 |
| Compound Name: | rel-(5aR,9aS)-7-[(1H-indol-4-yl)methyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 370.49 |
| Molecular Formula: | C21 H30 N4 O2 |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)Cc1cccc2c1cc[nH]2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6719 |
| logD: | 2.3148 |
| logSw: | -2.6106 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.345 |
| InChI Key: | KYVAPRVEBXXNPT-PXNSSMCTSA-N |