6-(4-benzylpiperazine-1-carbonyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(4-benzylpiperazine-1-carbonyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
6-(4-benzylpiperazine-1-carbonyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
Compound ID: | G373-3000 |
Compound Name: | 6-(4-benzylpiperazine-1-carbonyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one |
Molecular Weight: | 462.55 |
Molecular Formula: | C26 H30 N4 O4 |
Smiles: | C1CCN(C1)C(CN1C(COc2ccc(cc12)C(N1CCN(CC1)Cc1ccccc1)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.1089 |
logD: | 1.0935 |
logSw: | -1.9816 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 61.015 |
InChI Key: | UTZVTXTTXODOBA-UHFFFAOYSA-N |