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-(2-phenylethyl)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-(2-phenylethyl)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-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | K286-3925 |
| 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-(2-phenylethyl)acetamide |
| Molecular Weight: | 576.73 |
| Molecular Formula: | C29 H25 F N4 O2 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(NCCc2ccccc2)=O)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.3234 |
| logD: | 5.3234 |
| logSw: | -5.2559 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.268 |
| InChI Key: | RXAAYBVZBLQVQD-UHFFFAOYSA-N |