2-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methoxybenzoate
Chemical Structure Depiction of
2-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methoxybenzoate
2-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 8014-0707 |
| Compound Name: | 2-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methoxybenzoate |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C21 H17 N O4 S2 |
| Smiles: | COc1ccc(cc1)C(=O)Oc1ccccc1/C=C1/C(N(CC=C)C(=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4619 |
| logD: | 4.4619 |
| logSw: | -4.5158 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 44.701 |
| InChI Key: | IQULBNIUHAMDOT-UHFFFAOYSA-N |