N-(3,4-difluorophenyl)-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-difluorophenyl)-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(3,4-difluorophenyl)-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F092-0126 |
| Compound Name: | N-(3,4-difluorophenyl)-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 492.54 |
| Molecular Formula: | C20 H14 F2 N4 O3 S3 |
| Smiles: | COc1cccc(c1)N1C2=C(C(NC(=N2)SCC(Nc2ccc(c(c2)F)F)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.8064 |
| logD: | 3.8015 |
| logSw: | -4.1674 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.989 |
| InChI Key: | IEEMURDLEIFGIO-UHFFFAOYSA-N |