1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(1H-tetrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(1H-tetrazol-1-yl)ethan-1-one
1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(1H-tetrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SC09-0544 |
| Compound Name: | 1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(1H-tetrazol-1-yl)ethan-1-one |
| Molecular Weight: | 350.38 |
| Molecular Formula: | C18 H18 N6 O2 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(Cn1cnnn1)=O)c1cccnc1 |
| Stereo: | ABSOLUTE |
| logP: | 1.6947 |
| logD: | 1.6878 |
| logSw: | -1.4969 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.518 |
| InChI Key: | PFBLQOHIQXJNMX-ZDUSSCGKSA-N |