(5-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
(5-methylthiophen-2-yl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
(5-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: | S232-1978 |
| Compound Name: | (5-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: | Cc1ccc(C(N2CC[C@@H]3COCCN(Cc4ccncc4)[C@@H]3C2)=O)s1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1626 |
| logD: | 2.1382 |
| logSw: | -2.2156 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.921 |
| InChI Key: | LWTNOIBEHMKZSB-MSOLQXFVSA-N |