(3-chloro-4-fluorophenyl)[rel-(5aR,9aS)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]methanone
Chemical Structure Depiction of
(3-chloro-4-fluorophenyl)[rel-(5aR,9aS)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]methanone
(3-chloro-4-fluorophenyl)[rel-(5aR,9aS)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]methanone
Compound characteristics
| Compound ID: | SB16-1022 |
| Compound Name: | (3-chloro-4-fluorophenyl)[rel-(5aR,9aS)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]methanone |
| Molecular Weight: | 326.8 |
| Molecular Formula: | C16 H20 Cl F N2 O2 |
| Smiles: | CN1CC[C@@H]2[C@H](C1)COCCN2C(c1ccc(c(c1)[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6114 |
| logD: | -0.1531 |
| logSw: | -2.7506 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.2444 |
| InChI Key: | PFUKXOIWLXMLME-WFASDCNBSA-N |