N-(2H-1,3-benzodioxol-5-yl)-2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M109-0627 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C22 H18 N4 O4 S2 |
| Smiles: | Cc1ccc(cc1)c1c2c(C(N(C)C(=N2)SCC(Nc2ccc3c(c2)OCO3)=O)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 3.8378 |
| logD: | 3.8378 |
| logSw: | -3.9924 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.811 |
| InChI Key: | TUZBRRQCGXLCOX-UHFFFAOYSA-N |