{[3-(4-ethoxyphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[3-(4-ethoxyphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid
{[3-(4-ethoxyphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | K286-2397 |
| Compound Name: | {[3-(4-ethoxyphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid |
| Molecular Weight: | 471.57 |
| Molecular Formula: | C21 H17 N3 O4 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(O)=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.2445 |
| logD: | 0.6639 |
| logSw: | -3.3216 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.734 |
| InChI Key: | UCBMKBKVKSRXIY-UHFFFAOYSA-N |