4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3,6-dichloro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3,6-dichloro-1-benzothiophene-2-carboxylate
4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3,6-dichloro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y070-0170 |
| Compound Name: | 4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3,6-dichloro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 494.44 |
| Molecular Formula: | C21 H13 Cl2 N O3 S3 |
| Smiles: | CCN1C(/C(=C/c2ccc(cc2)OC(c2c(c3ccc(cc3s2)[Cl])[Cl])=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6795 |
| logD: | 6.6795 |
| logSw: | -6.6154 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 37.563 |
| InChI Key: | NBTNJWXYSCYTTI-UHFFFAOYSA-N |