N-(2H-1,3-benzodioxol-5-yl)-N'-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-N'-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea
N-(2H-1,3-benzodioxol-5-yl)-N'-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea
Compound characteristics
| Compound ID: | F524-0183 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N'-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | Cc1ccc(cc1)C1=NN2C(=NC(CNC(Nc3ccc4c(c3)OCO4)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.2577 |
| logD: | 3.2539 |
| logSw: | -3.4424 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.011 |
| InChI Key: | XTGNXTFYPKZTPK-UHFFFAOYSA-N |