2-{[3-(2-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-{[3-(2-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-phenylethyl)acetamide
2-{[3-(2-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | K286-3841 |
| Compound Name: | 2-{[3-(2-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 558.74 |
| Molecular Formula: | C29 H26 N4 O2 S3 |
| Smiles: | Cc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1ccccc1C)=S)SCC(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2152 |
| logD: | 5.2152 |
| logSw: | -5.0622 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.967 |
| InChI Key: | NNULLILCNUPTAW-UHFFFAOYSA-N |