1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-phenoxyethan-1-one
1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | SC09-0540 |
| Compound Name: | 1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C23 H22 N2 O3 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(COc1ccccc1)=O)c1cccnc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.7728 |
| logD: | 3.7659 |
| logSw: | -3.7258 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.832 |
| InChI Key: | WNKNDTXLLRNLAD-KRWDZBQOSA-N |