4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-chlorobenzoate
Chemical Structure Depiction of
4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-chlorobenzoate
4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-chlorobenzoate
Compound characteristics
| Compound ID: | 0806-0424 |
| Compound Name: | 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-chlorobenzoate |
| Molecular Weight: | 375.85 |
| Molecular Formula: | C17 H10 Cl N O3 S2 |
| Smiles: | C(=C1/C(NC(=S)S1)=O)/c1ccc(cc1)OC(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5003 |
| logD: | 2.1492 |
| logSw: | -4.0901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.278 |
| InChI Key: | BZBSISQTOSFJIC-UHFFFAOYSA-N |