rel-(5aR,9aS)-7-[(1H-indol-5-yl)methyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[(1H-indol-5-yl)methyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-7-[(1H-indol-5-yl)methyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0887 |
| Compound Name: | rel-(5aR,9aS)-7-[(1H-indol-5-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)Cc1ccc2c(cc[nH]2)c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5455 |
| logD: | 2.2362 |
| logSw: | -2.9875 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.345 |
| InChI Key: | SFNGYUFLFFMGNV-ICSRJNTNSA-N |