(2,4-dimethyl-1,3-thiazol-5-yl)[rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Chemical Structure Depiction of
(2,4-dimethyl-1,3-thiazol-5-yl)[rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
(2,4-dimethyl-1,3-thiazol-5-yl)[rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Compound characteristics
| Compound ID: | S232-1871 |
| Compound Name: | (2,4-dimethyl-1,3-thiazol-5-yl)[rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone |
| Molecular Weight: | 386.51 |
| Molecular Formula: | C20 H26 N4 O2 S |
| Smiles: | Cc1c(C(N2CC[C@@H]3COCCN(Cc4cccnc4)[C@@H]3C2)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4581 |
| logD: | 1.4509 |
| logSw: | -1.4634 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.381 |
| InChI Key: | SIBBMHYACYEKAC-MSOLQXFVSA-N |