N-benzyl-2-{[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-benzyl-2-{[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | F143-0387 |
Compound Name: | N-benzyl-2-{[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
Molecular Weight: | 498.64 |
Molecular Formula: | C23 H22 N4 O3 S3 |
Smiles: | CCOc1ccc(cc1)N1C2=C(C(N(C)C(=N2)SCC(NCc2ccccc2)=O)=O)SC1=S |
Stereo: | ACHIRAL |
logP: | 3.5808 |
logD: | 3.5808 |
logSw: | -3.6322 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.198 |
InChI Key: | TYFAEYQXELIUGG-UHFFFAOYSA-N |