(1-ethyl-1H-pyrazol-3-yl)[rel-(5aR,9aR)-1-(2-methoxyethyl)octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Chemical Structure Depiction of
(1-ethyl-1H-pyrazol-3-yl)[rel-(5aR,9aR)-1-(2-methoxyethyl)octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
(1-ethyl-1H-pyrazol-3-yl)[rel-(5aR,9aR)-1-(2-methoxyethyl)octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Compound characteristics
| Compound ID: | S232-2194 |
| Compound Name: | (1-ethyl-1H-pyrazol-3-yl)[rel-(5aR,9aR)-1-(2-methoxyethyl)octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone |
| Molecular Weight: | 336.43 |
| Molecular Formula: | C17 H28 N4 O3 |
| Smiles: | CCn1ccc(C(N2CC[C@@H]3COCCN(CCOC)[C@@H]3C2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1272 |
| logD: | 0.0805 |
| logSw: | -1.1603 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.451 |
| InChI Key: | ZJFLLRHRVWFEOO-ZBFHGGJFSA-N |