N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(7-oxo-3-phenyl-6-propyl-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-[(7-oxo-3-phenyl-6-propyl-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(7-oxo-3-phenyl-6-propyl-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M109-0196 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(7-oxo-3-phenyl-6-propyl-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: | CCCN1C(=Nc2c(c3ccccc3)nsc2C1=O)SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1108 |
| logD: | 4.1108 |
| logSw: | -4.1007 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.346 |
| InChI Key: | XKLVQQPNEOWGHU-UHFFFAOYSA-N |