4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 3-methylbenzoate
Chemical Structure Depiction of
4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 3-methylbenzoate
4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 3-methylbenzoate
Compound characteristics
| Compound ID: | 3229-0485 |
| Compound Name: | 4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 3-methylbenzoate |
| Molecular Weight: | 413.51 |
| Molecular Formula: | C21 H19 N O4 S2 |
| Smiles: | CCN1C(/C(=C\c2ccc(c(c2)OC)OC(c2cccc(C)c2)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4187 |
| logD: | 4.4187 |
| logSw: | -4.5225 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 44.534 |
| InChI Key: | QIRIIKZUOKPRFW-UHFFFAOYSA-N |