2-{[3-(4-chloro-3-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-chloro-3-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
2-{[3-(4-chloro-3-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K286-3702 |
| Compound Name: | 2-{[3-(4-chloro-3-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 625.19 |
| Molecular Formula: | C29 H25 Cl N4 O4 S3 |
| Smiles: | Cc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1ccc(c(C)c1)[Cl])=S)SCC(Nc1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4517 |
| logD: | 6.4516 |
| logSw: | -6.2922 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.58 |
| InChI Key: | JDEIWSDIFSJIKS-UHFFFAOYSA-N |