4-[(4-ethenylphenyl)methyl]-6-(morpholine-4-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[(4-ethenylphenyl)methyl]-6-(morpholine-4-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
4-[(4-ethenylphenyl)methyl]-6-(morpholine-4-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
Compound ID: | G549-0361 |
Compound Name: | 4-[(4-ethenylphenyl)methyl]-6-(morpholine-4-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one |
Molecular Weight: | 430.54 |
Molecular Formula: | C21 H22 N2 O4 S2 |
Smiles: | C=Cc1ccc(CN2C(CSc3ccc(cc23)S(N2CCOCC2)(=O)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.3971 |
logD: | 3.3971 |
logSw: | -3.8431 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 55.238 |
InChI Key: | NATSTBNLOKMPJY-UHFFFAOYSA-N |