{5-bromo-3-[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid
Chemical Structure Depiction of
{5-bromo-3-[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid
{5-bromo-3-[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid
Compound characteristics
| Compound ID: | 4340-1716 |
| Compound Name: | {5-bromo-3-[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid |
| Molecular Weight: | 517.39 |
| Molecular Formula: | C17 H13 Br N2 O6 S3 |
| Smiles: | C1CS(CC1N1C(/C(=C2C(N(CC(O)=O)c3ccc(cc\23)[Br])=O)SC1=S)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3187 |
| logD: | -3.7067 |
| logSw: | -2.2406 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.225 |
| InChI Key: | IVBGIFXMUDNZGX-VIFPVBQESA-N |