2-(3-fluorophenyl)-1-[(3S)-3-methyl-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-fluorophenyl)-1-[(3S)-3-methyl-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(3-fluorophenyl)-1-[(3S)-3-methyl-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S979-0437 |
| Compound Name: | 2-(3-fluorophenyl)-1-[(3S)-3-methyl-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C23 H25 F N2 O4 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(Cc1cccc(c1)F)=O)C(N1CCOCC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5656 |
| logD: | 2.5656 |
| logSw: | -2.7646 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.643 |
| InChI Key: | IIPQOTUDCGKYIW-INIZCTEOSA-N |