methyl 4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoate
methyl 4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 4489-0014 |
| Compound Name: | methyl 4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoate |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C15 H13 N O3 S2 |
| Smiles: | COC(c1ccc(\C=C2/C(N(CC=C)C(=S)S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3836 |
| logD: | 3.3836 |
| logSw: | -3.6547 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 37.866 |
| InChI Key: | DUVQOCZNVYTPJD-UHFFFAOYSA-N |