(5-methylthiophen-2-yl)[rel-(5aR,9aR)-1-[(pyridin-3-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-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
(5-methylthiophen-2-yl)[rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Compound characteristics
| Compound ID: | S232-1840 |
| Compound Name: | (5-methylthiophen-2-yl)[rel-(5aR,9aR)-1-[(pyridin-3-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(Cc4cccnc4)[C@@H]3C2)=O)s1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.206 |
| logD: | 2.1987 |
| logSw: | -1.9547 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.01 |
| InChI Key: | MFWIYKKKPBRUAZ-MSOLQXFVSA-N |