2-{[6-(2-methoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{[6-(2-methoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-{[6-(2-methoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K286-0288 |
| Compound Name: | 2-{[6-(2-methoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 639.79 |
| Molecular Formula: | C28 H25 N5 O5 S4 |
| Smiles: | COc1ccccc1N1C(=NC2=C(C1=O)SC(N2c1ccccc1)=S)SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.462 |
| logD: | 2.4613 |
| logSw: | -2.6803 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.2 |
| InChI Key: | SBOPERLQMXJVIP-UHFFFAOYSA-N |