(3-methylthiophen-2-yl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Chemical Structure Depiction of
(3-methylthiophen-2-yl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
(3-methylthiophen-2-yl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Compound characteristics
| Compound ID: | S232-2460 |
| Compound Name: | (3-methylthiophen-2-yl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone |
| Molecular Weight: | 371.5 |
| Molecular Formula: | C20 H25 N3 O2 S |
| Smiles: | Cc1ccsc1C(N1CC[C@@H]2COCCN(Cc3ccncc3)[C@@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8926 |
| logD: | 1.8682 |
| logSw: | -1.9941 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.921 |
| InChI Key: | LCXIKBHWFIMLIX-MSOLQXFVSA-N |