4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 3,6-dichloro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 3,6-dichloro-1-benzothiophene-2-carboxylate
4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 3,6-dichloro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y070-0729 |
| Compound Name: | 4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 3,6-dichloro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 479.36 |
| Molecular Formula: | C20 H12 Cl2 N2 O4 S2 |
| Smiles: | COc1cc(/C=C2/C(NC(=N)S2)=O)ccc1OC(c1c(c2ccc(cc2s1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9689 |
| logD: | 4.9674 |
| logSw: | -5.3823 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.355 |
| InChI Key: | OCCCMHABBFOXDI-CHHVJCJISA-N |