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}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
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}-N-(3-methylphenyl)acetamide
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}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F143-0400 |
| Compound Name: | 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}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 498.64 |
| Molecular Formula: | C23 H22 N4 O3 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(N(C)C(=N2)SCC(Nc2cccc(C)c2)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.2594 |
| logD: | 4.2594 |
| logSw: | -4.2046 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.876 |
| InChI Key: | ATIFAMWMBZPZIF-UHFFFAOYSA-N |