2-(5-{1-[(4-methylphenyl)methyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethane-1-sulfonic acid
Chemical Structure Depiction of
2-(5-{1-[(4-methylphenyl)methyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethane-1-sulfonic acid
2-(5-{1-[(4-methylphenyl)methyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethane-1-sulfonic acid
Compound characteristics
Compound ID: | 4340-2045 |
Compound Name: | 2-(5-{1-[(4-methylphenyl)methyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethane-1-sulfonic acid |
Molecular Weight: | 474.58 |
Molecular Formula: | C21 H18 N2 O5 S3 |
Smiles: | Cc1ccc(CN2C(C(=C3/C(N(CCS(O)(=O)=O)C(=S)S3)=O)/c3ccccc23)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 1.7784 |
logD: | -7.5393 |
logSw: | -2.7766 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.22 |
InChI Key: | OAVYFGRRJDNNBG-UHFFFAOYSA-N |