N-(2H-1,3-benzodioxol-5-yl)-2-[6-(4-methylphenyl)-2-(methylsulfanyl)-5,7-dioxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[6-(4-methylphenyl)-2-(methylsulfanyl)-5,7-dioxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[6-(4-methylphenyl)-2-(methylsulfanyl)-5,7-dioxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
Compound characteristics
| Compound ID: | L863-0162 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[6-(4-methylphenyl)-2-(methylsulfanyl)-5,7-dioxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide |
| Molecular Weight: | 482.54 |
| Molecular Formula: | C22 H18 N4 O5 S2 |
| Smiles: | Cc1ccc(cc1)N1C(c2c(nc(SC)s2)N(CC(Nc2ccc3c(c2)OCO3)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2178 |
| logD: | 4.2177 |
| logSw: | -4.2994 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.57 |
| InChI Key: | IVEVVWAKWQFPPN-UHFFFAOYSA-N |