[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](1H-1,2,4-triazol-3-yl)methanone
Chemical Structure Depiction of
[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](1H-1,2,4-triazol-3-yl)methanone
[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](1H-1,2,4-triazol-3-yl)methanone
Compound characteristics
| Compound ID: | SC09-0495 |
| Compound Name: | [(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](1H-1,2,4-triazol-3-yl)methanone |
| Molecular Weight: | 335.36 |
| Molecular Formula: | C18 H17 N5 O2 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(c1nc[nH]n1)=O)c1cccnc1 |
| Stereo: | ABSOLUTE |
| logP: | 1.6969 |
| logD: | 1.5862 |
| logSw: | -1.7364 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.563 |
| InChI Key: | RGQWBNHEGKIHCU-LBPRGKRZSA-N |