2-{[3-(4-ethylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(5-methyl-1H-pyrazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[3-(4-ethylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(5-methyl-1H-pyrazol-3-yl)acetamide
2-{[3-(4-ethylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(5-methyl-1H-pyrazol-3-yl)acetamide
Compound characteristics
| Compound ID: | K286-3688 |
| Compound Name: | 2-{[3-(4-ethylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(5-methyl-1H-pyrazol-3-yl)acetamide |
| Molecular Weight: | 552.67 |
| Molecular Formula: | C25 H21 F N6 O2 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(Nc2cc(C)[nH]n2)=O)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.8397 |
| logD: | 4.8382 |
| logSw: | -4.5977 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.239 |
| InChI Key: | YVJYWAQRVILTTE-UHFFFAOYSA-N |