2-ethyl-6-{4-[(thiophen-2-yl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-ethyl-6-{4-[(thiophen-2-yl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
2-ethyl-6-{4-[(thiophen-2-yl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
Compound ID: | F537-0391 |
Compound Name: | 2-ethyl-6-{4-[(thiophen-2-yl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
Molecular Weight: | 449.55 |
Molecular Formula: | C20 H23 N3 O5 S2 |
Smiles: | CCC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(Cc1cccs1)=O)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.9952 |
logD: | 1.9948 |
logSw: | -2.9054 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.699 |
InChI Key: | VNBBEXHRYITSMB-QGZVFWFLSA-N |