2-(5-{5-bromo-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-{5-bromo-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-{5-bromo-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: | 4340-2142 |
| Compound Name: | 2-(5-{5-bromo-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: | 553.47 |
| Molecular Formula: | C21 H17 Br N2 O5 S3 |
| Smiles: | Cc1ccc(CN2C(C(=C3/C(N(CCS(O)(=O)=O)C(=S)S3)=O)/c3cc(ccc23)[Br])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7253 |
| logD: | -6.5925 |
| logSw: | -3.2743 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.22 |
| InChI Key: | MULQKAKTJMBXLU-UHFFFAOYSA-N |