2-(1H-indol-3-yl)-1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(1H-indol-3-yl)-1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one
2-(1H-indol-3-yl)-1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | T634-0076 |
| Compound Name: | 2-(1H-indol-3-yl)-1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C24 H27 N3 O3 |
| Smiles: | C(C(N1CCOc2ccc(CN3CCOCC3)cc2C1)=O)c1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.7492 |
| logD: | 2.6873 |
| logSw: | -3.1235 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.815 |
| InChI Key: | HMRCFQFEGCIWNL-UHFFFAOYSA-N |