(isoquinolin-1-yl)[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
Chemical Structure Depiction of
(isoquinolin-1-yl)[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
(isoquinolin-1-yl)[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
Compound characteristics
| Compound ID: | S555-0215 |
| Compound Name: | (isoquinolin-1-yl)[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C23 H23 N3 O2 |
| Smiles: | C1CCN(C1)c1ccc2c(CN(CCO2)C(c2c3ccccc3ccn2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6846 |
| logD: | 3.6844 |
| logSw: | -3.9789 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.196 |
| InChI Key: | PVOCYTCYQZEFLS-UHFFFAOYSA-N |