3-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]benzonitrile
3-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | S555-0210 |
| Compound Name: | 3-[7-(pyrrolidin-1-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]benzonitrile |
| Molecular Weight: | 347.42 |
| Molecular Formula: | C21 H21 N3 O2 |
| Smiles: | C1CCN(C1)c1ccc2c(CN(CCO2)C(c2cccc(C#N)c2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.9191 |
| logD: | 2.9189 |
| logSw: | -3.1531 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.706 |
| InChI Key: | ZODBWFXQEJGQKT-UHFFFAOYSA-N |