1-[(3S)-3-methyl-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[(3S)-3-methyl-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
1-[(3S)-3-methyl-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S979-0513 |
| Compound Name: | 1-[(3S)-3-methyl-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C21 H26 N4 O4 |
| Smiles: | Cc1cnn(CC(N2Cc3cc(ccc3OC[C@@H]2C)C(N2CCOCC2)=O)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 0.8558 |
| logD: | 0.8558 |
| logSw: | -1.5728 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.421 |
| InChI Key: | KNFRSIIZOUJZLU-MRXNPFEDSA-N |