N-(4-ethylphenyl)-2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-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-(4-ethylphenyl)-2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(4-ethylphenyl)-2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K286-3896 |
| Compound Name: | N-(4-ethylphenyl)-2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 576.73 |
| Molecular Formula: | C29 H25 F N4 O2 S3 |
| Smiles: | CCc1ccc(cc1)NC(CSC1=NC2=C(C(N1c1ccc(C)cc1)=O)SC(N2c1cc(C)ccc1F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9304 |
| logD: | 6.9304 |
| logSw: | -5.5722 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.803 |
| InChI Key: | NNRDDBWYQUEMFJ-UHFFFAOYSA-N |