2-{[3-(4-chloro-3-methylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[3-(4-chloro-3-methylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide
2-{[3-(4-chloro-3-methylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | K286-1692 |
| Compound Name: | 2-{[3-(4-chloro-3-methylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 549.11 |
| Molecular Formula: | C24 H22 Cl F N4 O2 S3 |
| Smiles: | CCN(CC)C(CSC1=NC2=C(C(N1c1ccc(cc1)F)=O)SC(N2c1ccc(c(C)c1)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4556 |
| logD: | 5.4556 |
| logSw: | -5.9501 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 42.631 |
| InChI Key: | SIZFVDNLJFTEAR-UHFFFAOYSA-N |