methyl 4-(5-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate
methyl 4-(5-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | Y070-1138 |
| Compound Name: | methyl 4-(5-{[3-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C20 H17 N O6 S3 |
| Smiles: | COC(c1ccc(cc1)c1ccc(\C=C2/C(N(C3CCS(C3)(=O)=O)C(=S)S2)=O)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1091 |
| logD: | 3.1091 |
| logSw: | -3.3156 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 72.845 |
| InChI Key: | HBVNUBMFAUSHFA-CQSZACIVSA-N |