6-[3-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-3-oxopropane-1-sulfonyl]-1,4-dimethyl-1,4-dihydroquinoxaline-2,3-dione
Chemical Structure Depiction of
6-[3-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-3-oxopropane-1-sulfonyl]-1,4-dimethyl-1,4-dihydroquinoxaline-2,3-dione
6-[3-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-3-oxopropane-1-sulfonyl]-1,4-dimethyl-1,4-dihydroquinoxaline-2,3-dione
Compound characteristics
Compound ID: | K906-4583 |
Compound Name: | 6-[3-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-3-oxopropane-1-sulfonyl]-1,4-dimethyl-1,4-dihydroquinoxaline-2,3-dione |
Molecular Weight: | 459.54 |
Molecular Formula: | C21 H21 N3 O5 S2 |
Smiles: | CN1C(C(N(C)c2cc(ccc12)S(CCC(N1CCSc2ccccc12)=O)(=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 0.9375 |
logD: | 0.9375 |
logSw: | -2.2216 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 74.42 |
InChI Key: | CEOLTRCEEZATCT-UHFFFAOYSA-N |