3-(3-methoxyphenyl)-5-[(2-phenoxyethyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(3-methoxyphenyl)-5-[(2-phenoxyethyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(3-methoxyphenyl)-5-[(2-phenoxyethyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | F092-0060 |
| Compound Name: | 3-(3-methoxyphenyl)-5-[(2-phenoxyethyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 443.56 |
| Molecular Formula: | C20 H17 N3 O3 S3 |
| Smiles: | COc1cccc(c1)N1C2=C(C(NC(=N2)SCCOc2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.1205 |
| logD: | 4.1188 |
| logSw: | -4.2506 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.257 |
| InChI Key: | JYURCRFXVNBQHE-UHFFFAOYSA-N |