N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-imine
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-imine
N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-imine
Compound characteristics
Compound ID: | C585-0094 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzene-1-sulfonyl)-2H-1-benzopyran-2-imine |
Molecular Weight: | 419.45 |
Molecular Formula: | C23 H17 N O5 S |
Smiles: | Cc1ccc(cc1)S(C1=Cc2ccccc2OC/1=N/c1ccc2c(c1)OCO2)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.8875 |
logD: | 4.8874 |
logSw: | -4.7366 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 62.561 |
InChI Key: | GINWZNNPOTUXQY-UHFFFAOYSA-N |