N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[6-ethyl-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)methyl]-2-{[6-ethyl-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)methyl]-2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M109-0714 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C24 H22 N4 O4 S2 |
| Smiles: | CCN1C(=Nc2c(c3ccc(C)cc3)nsc2C1=O)SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1498 |
| logD: | 4.1498 |
| logSw: | -4.2192 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.093 |
| InChI Key: | CPTLLFSVJBASAT-UHFFFAOYSA-N |