[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](5-methoxy-1H-indol-2-yl)methanone
Chemical Structure Depiction of
[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](5-methoxy-1H-indol-2-yl)methanone
[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](5-methoxy-1H-indol-2-yl)methanone
Compound characteristics
| Compound ID: | SB16-0390 |
| Compound Name: | [rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](5-methoxy-1H-indol-2-yl)methanone |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C25 H29 N3 O3 |
| Smiles: | COc1ccc2c(c1)cc(C(N1CC[C@@H]3[C@H](C1)COCCN3Cc1ccccc1)=O)[nH]2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5322 |
| logD: | 2.5658 |
| logSw: | -3.7346 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.367 |
| InChI Key: | NHKRJUHTVCUQJT-GBXCKJPGSA-N |