5-(benzylsulfanyl)-3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-(benzylsulfanyl)-3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-(benzylsulfanyl)-3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | F092-0016 |
| Compound Name: | 5-(benzylsulfanyl)-3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 427.56 |
| Molecular Formula: | C20 H17 N3 O2 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(NC(=N2)SCc2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.9794 |
| logD: | 3.9784 |
| logSw: | -3.9974 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.42 |
| InChI Key: | NSHAURYANURPAD-UHFFFAOYSA-N |