2-methoxy-4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-chlorobenzoate
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-chlorobenzoate
2-methoxy-4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-chlorobenzoate
Compound characteristics
| Compound ID: | 0806-0284 |
| Compound Name: | 2-methoxy-4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-chlorobenzoate |
| Molecular Weight: | 445.94 |
| Molecular Formula: | C21 H16 Cl N O4 S2 |
| Smiles: | COc1cc(\C=C2/C(N(CC=C)C(=S)S2)=O)ccc1OC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9485 |
| logD: | 4.9485 |
| logSw: | -5.3466 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 44.787 |
| InChI Key: | JFOUQCMRMRMUPA-UHFFFAOYSA-N |