[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](1,3-thiazol-4-yl)methanone
Chemical Structure Depiction of
[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](1,3-thiazol-4-yl)methanone
[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](1,3-thiazol-4-yl)methanone
Compound characteristics
| Compound ID: | SB16-0328 |
| Compound Name: | [rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](1,3-thiazol-4-yl)methanone |
| Molecular Weight: | 357.47 |
| Molecular Formula: | C19 H23 N3 O2 S |
| Smiles: | C1CN(C[C@@H]2COCCN(Cc3ccccc3)[C@H]12)C(c1cscn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0177 |
| logD: | 1.0514 |
| logSw: | -2.1914 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.102 |
| InChI Key: | SCZMWVIKSOZGEM-FUHWJXTLSA-N |