6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | G373-3020 |
| Compound Name: | 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 506.56 |
| Molecular Formula: | C27 H30 N4 O6 |
| Smiles: | C1CCN(C1)C(CN1C(COc2ccc(cc12)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9801 |
| logD: | 0.7885 |
| logSw: | -2.0746 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.131 |
| InChI Key: | IYUYMDGZIRSEHA-UHFFFAOYSA-N |