3-{2-[rel-(5aR,9aS)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-{2-[rel-(5aR,9aS)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
3-{2-[rel-(5aR,9aS)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | SB16-1097 |
| Compound Name: | 3-{2-[rel-(5aR,9aS)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 345.4 |
| Molecular Formula: | C18 H23 N3 O4 |
| Smiles: | CN1CC[C@@H]2[C@H](C1)COCCN2C(CN1C(=O)Oc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4484 |
| logD: | -1.4306 |
| logSw: | -1.4994 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.817 |
| InChI Key: | ORWVRSZZWFSFTA-KBPBESRZSA-N |