[rel-(5aR,9aR)-1-benzyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](5-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
[rel-(5aR,9aR)-1-benzyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](5-methylthiophen-2-yl)methanone
[rel-(5aR,9aR)-1-benzyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](5-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S232-1701 |
| Compound Name: | [rel-(5aR,9aR)-1-benzyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](5-methylthiophen-2-yl)methanone |
| Molecular Weight: | 370.51 |
| Molecular Formula: | C21 H26 N2 O2 S |
| Smiles: | Cc1ccc(C(N2CC[C@@H]3COCCN(Cc4ccccc4)[C@@H]3C2)=O)s1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5192 |
| logD: | 3.4881 |
| logSw: | -3.5334 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.4923 |
| InChI Key: | RFSZTAZTRAHUNN-MOPGFXCFSA-N |