4-phenyl-1-[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]butan-1-one
Chemical Structure Depiction of
4-phenyl-1-[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]butan-1-one
4-phenyl-1-[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]butan-1-one
Compound characteristics
| Compound ID: | S232-1987 |
| Compound Name: | 4-phenyl-1-[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]butan-1-one |
| Molecular Weight: | 393.53 |
| Molecular Formula: | C24 H31 N3 O2 |
| Smiles: | C(CC(N1CC[C@@H]2COCCN(Cc3ccncc3)[C@@H]2C1)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5908 |
| logD: | 2.5664 |
| logSw: | -2.4952 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.375 |
| InChI Key: | RTMNJHHNOHIAQR-PKTZIBPZSA-N |