2-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
2-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
2-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 0806-0278 |
| Compound Name: | 2-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid |
| Molecular Weight: | 305.37 |
| Molecular Formula: | C14 H11 N O3 S2 |
| Smiles: | C=CCN1C(/C(=C\c2ccccc2C(O)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0538 |
| logD: | -0.6578 |
| logSw: | -3.3636 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.1 |
| InChI Key: | JJVLYLWJPLEWPM-DHZHZOJOSA-N |