3-(4-methoxyphenyl)-1-[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]propan-1-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-1-[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]propan-1-one
3-(4-methoxyphenyl)-1-[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | S232-1986 |
| Compound Name: | 3-(4-methoxyphenyl)-1-[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]propan-1-one |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C24 H31 N3 O3 |
| Smiles: | COc1ccc(CCC(N2CC[C@@H]3COCCN(Cc4ccncc4)[C@@H]3C2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9922 |
| logD: | 1.9677 |
| logSw: | -1.9092 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.918 |
| InChI Key: | LWHMHKDHXZPRIH-GGAORHGYSA-N |