2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F092-0037 |
| Compound Name: | 2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 498.64 |
| Molecular Formula: | C23 H22 N4 O3 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(NC(=N2)SCC(NCc2ccc(C)cc2)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.7596 |
| logD: | 3.758 |
| logSw: | -3.8779 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.891 |
| InChI Key: | AFEFPZXHNJGKSI-UHFFFAOYSA-N |