2-methoxy-4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-fluorobenzoate
Chemical Structure Depiction of
2-methoxy-4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-fluorobenzoate
2-methoxy-4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-fluorobenzoate
Compound characteristics
| Compound ID: | 3229-0196 |
| Compound Name: | 2-methoxy-4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-fluorobenzoate |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C21 H16 F N O4 S2 |
| Smiles: | COc1cc(\C=C2/C(N(CC=C)C(=S)S2)=O)ccc1OC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3829 |
| logD: | 4.3829 |
| logSw: | -4.5294 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 44.787 |
| InChI Key: | CWRHJQBPTAHYAE-UHFFFAOYSA-N |