rel-(5aR,9aS)-7-[3-(1H-indol-3-yl)propanoyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[3-(1H-indol-3-yl)propanoyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-7-[3-(1H-indol-3-yl)propanoyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0889 |
| Compound Name: | rel-(5aR,9aS)-7-[3-(1H-indol-3-yl)propanoyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C23 H32 N4 O3 |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)C(CCc1c[nH]c2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.609 |
| logD: | 2.6086 |
| logSw: | -2.7622 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.823 |
| InChI Key: | AQRFRUIXLKQENQ-RXVVDRJESA-N |