4-(1H-indol-3-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
Chemical Structure Depiction of
4-(1H-indol-3-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
4-(1H-indol-3-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
Compound characteristics
| Compound ID: | M400-0321 |
| Compound Name: | 4-(1H-indol-3-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C26 H29 N3 O3 |
| Smiles: | C(CC(N1CCOc2ccc(cc2C1)C(N1CCCC1)=O)=O)Cc1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.4677 |
| logD: | 3.4677 |
| logSw: | -3.6946 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.189 |
| InChI Key: | NMSIXWOATQZQOB-UHFFFAOYSA-N |