2-{[6-(2-methoxyphenyl)-7-oxo-3-(2-phenylethyl)-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[6-(2-methoxyphenyl)-7-oxo-3-(2-phenylethyl)-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
2-{[6-(2-methoxyphenyl)-7-oxo-3-(2-phenylethyl)-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Compound characteristics
| Compound ID: | K286-3997 |
| Compound Name: | 2-{[6-(2-methoxyphenyl)-7-oxo-3-(2-phenylethyl)-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide |
| Molecular Weight: | 565.69 |
| Molecular Formula: | C26 H23 N5 O4 S3 |
| Smiles: | Cc1cc(NC(CSC2=NC3=C(C(N2c2ccccc2OC)=O)SC(N3CCc2ccccc2)=S)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.716 |
| logD: | 4.7068 |
| logSw: | -4.32 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.819 |
| InChI Key: | QEBYWQRYELBGSC-UHFFFAOYSA-N |