1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-(1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-(1H-pyrazol-1-yl)propan-1-one
1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-(1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | SC09-0583 |
| Compound Name: | 1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-(1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 362.43 |
| Molecular Formula: | C21 H22 N4 O2 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(CCn1cccn1)=O)c1cccnc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.3422 |
| logD: | 2.3354 |
| logSw: | -2.3817 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.106 |
| InChI Key: | BKUWCMRPFSEVKE-INIZCTEOSA-N |