3-(4-ethoxyphenyl)-5-[(2-phenoxyethyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-5-[(2-phenoxyethyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-ethoxyphenyl)-5-[(2-phenoxyethyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | F092-0002 |
| Compound Name: | 3-(4-ethoxyphenyl)-5-[(2-phenoxyethyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C21 H19 N3 O3 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(NC(=N2)SCCOc2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.3256 |
| logD: | 4.3239 |
| logSw: | -4.1089 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.837 |
| InChI Key: | SMRNTEGSHAGSAW-UHFFFAOYSA-N |