ethyl 4-(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}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(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}acetamido)benzoate
ethyl 4-(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}acetamido)benzoate
Compound characteristics
| Compound ID: | K286-4125 |
| Compound Name: | ethyl 4-(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}acetamido)benzoate |
| Molecular Weight: | 618.75 |
| Molecular Formula: | C30 H26 N4 O5 S3 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=NC2=C(C(N1c1ccccc1)=O)SC(N2c1ccc(cc1)OCC)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7564 |
| logD: | 5.7564 |
| logSw: | -5.5579 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.981 |
| InChI Key: | YEKFBPKDWNIIPT-UHFFFAOYSA-N |