1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-3-(1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-3-(1H-pyrazol-1-yl)propan-1-one
1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-3-(1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | SB16-0379 |
| Compound Name: | 1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-3-(1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C21 H28 N4 O2 |
| Smiles: | C(Cn1cccn1)C(N1CC[C@@H]2[C@H](C1)COCCN2Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1041 |
| logD: | 0.0327 |
| logSw: | -1.6929 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.719 |
| InChI Key: | KVMHRNKYKCBBKV-VQTJNVASSA-N |