2-{[3-(4-ethoxyphenyl)-7-oxo-6-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-{[3-(4-ethoxyphenyl)-7-oxo-6-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-{[3-(4-ethoxyphenyl)-7-oxo-6-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: | K286-4158 |
| Compound Name: | 2-{[3-(4-ethoxyphenyl)-7-oxo-6-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: | 653.82 |
| Molecular Formula: | C29 H27 N5 O5 S4 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(NCCc2ccc(cc2)S(N)(=O)=O)=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 2.9717 |
| logD: | 2.9709 |
| logSw: | -3.5382 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.994 |
| InChI Key: | SBVGMANZDCDJQP-UHFFFAOYSA-N |