{5-bromo-2-oxo-3-[4-oxo-2-sulfanylidene-3-(2-sulfoethyl)-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-1-yl}acetic acid
Chemical Structure Depiction of
{5-bromo-2-oxo-3-[4-oxo-2-sulfanylidene-3-(2-sulfoethyl)-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-1-yl}acetic acid
{5-bromo-2-oxo-3-[4-oxo-2-sulfanylidene-3-(2-sulfoethyl)-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-1-yl}acetic acid
Compound characteristics
| Compound ID: | 4340-1715 |
| Compound Name: | {5-bromo-2-oxo-3-[4-oxo-2-sulfanylidene-3-(2-sulfoethyl)-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-1-yl}acetic acid |
| Molecular Weight: | 507.36 |
| Molecular Formula: | C15 H11 Br N2 O7 S3 |
| Smiles: | C(CS(O)(=O)=O)N1C(/C(=C2C(N(CC(O)=O)c3ccc(cc\23)[Br])=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | -0.8611 |
| logD: | -10.1789 |
| logSw: | -2.2319 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.876 |
| InChI Key: | VGQIVMGOIPMHDZ-UHFFFAOYSA-N |