N-(2,4-dimethoxyphenyl)-2-{[3-(2-fluorophenyl)-6-(4-fluorophenyl)-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-(2,4-dimethoxyphenyl)-2-{[3-(2-fluorophenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(2,4-dimethoxyphenyl)-2-{[3-(2-fluorophenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K286-3420 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-2-{[3-(2-fluorophenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 598.67 |
| Molecular Formula: | C27 H20 F2 N4 O4 S3 |
| Smiles: | COc1ccc(c(c1)OC)NC(CSC1=NC2=C(C(N1c1ccc(cc1)F)=O)SC(N2c1ccccc1F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7324 |
| logD: | 4.7324 |
| logSw: | -4.4724 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.279 |
| InChI Key: | NKPRRQYCEJCUNH-UHFFFAOYSA-N |