4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-6-{[2-(propan-2-yl)phenoxy]acetyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-6-{[2-(propan-2-yl)phenoxy]acetyl}-2H-1,4-benzoxazin-3(4H)-one
4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-6-{[2-(propan-2-yl)phenoxy]acetyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | V023-8787 |
| Compound Name: | 4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-6-{[2-(propan-2-yl)phenoxy]acetyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C25 H28 N2 O5 |
| Smiles: | CC(C)c1ccccc1OCC(c1ccc2c(c1)N(CC(N1CCCC1)=O)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3717 |
| logD: | 3.3717 |
| logSw: | -3.7445 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.388 |
| InChI Key: | JHZBYXFVVINGJX-UHFFFAOYSA-N |