2-[5-(1-acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid
Chemical Structure Depiction of
2-[5-(1-acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid
2-[5-(1-acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid
Compound characteristics
| Compound ID: | 5122-1655 |
| Compound Name: | 2-[5-(1-acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C18 H16 N2 O5 S3 |
| Smiles: | CC(N1C(C(=C2/C(N(C(CCSC)C(O)=O)C(=S)S2)=O)/c2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9024 |
| logD: | -1.9485 |
| logSw: | -2.2336 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.84 |
| InChI Key: | QACCSUTVUDNJEX-LBPRGKRZSA-N |