[rel-(5aR,9aR)-1-methyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](thiophen-2-yl)methanone
Chemical Structure Depiction of
[rel-(5aR,9aR)-1-methyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](thiophen-2-yl)methanone
[rel-(5aR,9aR)-1-methyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S232-1546 |
| Compound Name: | [rel-(5aR,9aR)-1-methyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](thiophen-2-yl)methanone |
| Molecular Weight: | 280.39 |
| Molecular Formula: | C14 H20 N2 O2 S |
| Smiles: | CN1CCOC[C@H]2CCN(C[C@@H]12)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1438 |
| logD: | 0.908 |
| logSw: | -1.9967 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.479 |
| InChI Key: | GIENREAULXNMLC-RYUDHWBXSA-N |