[rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](thiophen-2-yl)methanone
Chemical Structure Depiction of
[rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](thiophen-2-yl)methanone
[rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S232-1831 |
| Compound Name: | [rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](thiophen-2-yl)methanone |
| Molecular Weight: | 357.47 |
| Molecular Formula: | C19 H23 N3 O2 S |
| Smiles: | C1CN(C[C@@H]2[C@H]1COCCN2Cc1cccnc1)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5702 |
| logD: | 1.5629 |
| logSw: | -1.4808 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.01 |
| InChI Key: | NMHUETPSIMMQKQ-SJORKVTESA-N |