2-(pyridin-4-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(pyridin-4-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(pyridin-4-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | M400-0353 |
| Compound Name: | 2-(pyridin-4-yl)-1-[7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 365.43 |
| Molecular Formula: | C21 H23 N3 O3 |
| Smiles: | C1CCN(C1)C(c1ccc2c(CN(CCO2)C(Cc2ccncc2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4987 |
| logD: | 1.486 |
| logSw: | -1.5946 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.746 |
| InChI Key: | ILJYJPUXEZLIIT-UHFFFAOYSA-N |