[rel-(5aR,9aR)-1-benzyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](quinolin-2-yl)methanone
Chemical Structure Depiction of
[rel-(5aR,9aR)-1-benzyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](quinolin-2-yl)methanone
[rel-(5aR,9aR)-1-benzyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](quinolin-2-yl)methanone
Compound characteristics
| Compound ID: | S232-1711 |
| Compound Name: | [rel-(5aR,9aR)-1-benzyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](quinolin-2-yl)methanone |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C25 H27 N3 O2 |
| Smiles: | C1CN(C[C@@H]2[C@H]1COCCN2Cc1ccccc1)C(c1ccc2ccccc2n1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4657 |
| logD: | 3.4329 |
| logSw: | -3.5956 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.805 |
| InChI Key: | RXLIEZYQDIXPDV-QPPBQGQZSA-N |