2-(pyridin-3-yl)-1-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(pyridin-3-yl)-1-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(pyridin-3-yl)-1-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S555-0225 |
| Compound Name: | 2-(pyridin-3-yl)-1-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 337.42 |
| Molecular Formula: | C20 H23 N3 O2 |
| Smiles: | C1CCN(C1)c1ccc2c(CN(CCO2)C(Cc2cccnc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.4622 |
| logD: | 2.4536 |
| logSw: | -2.3964 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.64 |
| InChI Key: | UKQKVQDFNQUYCK-UHFFFAOYSA-N |