{[6-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[6-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
{[6-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | K286-0908 |
| Compound Name: | {[6-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C22 H18 N4 O3 S3 |
| Smiles: | CCOc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1cccc(c1)OC)=S)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 4.029 |
| logD: | 4.029 |
| logSw: | -4.1218 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 59.385 |
| InChI Key: | CJTKVGKATGYUCZ-UHFFFAOYSA-N |