7-[3-(4-benzylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-[3-(4-benzylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one
7-[3-(4-benzylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
Compound ID: | E511-0613 |
Compound Name: | 7-[3-(4-benzylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one |
Molecular Weight: | 477.97 |
Molecular Formula: | C22 H24 Cl N3 O5 S |
Smiles: | C(CS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)C(N1CCN(CC1)Cc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 1.3281 |
logD: | 1.2736 |
logSw: | -2.8332 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 82.206 |
InChI Key: | IFGPITCRFUBLGG-UHFFFAOYSA-N |