N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea
Compound characteristics
| Compound ID: | F524-0087 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | Cc1ccccc1C1=NN2C(=NC(CNC(Nc3ccc4c(c3)OCCO4)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.2071 |
| logD: | 2.2066 |
| logSw: | -3.02 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.719 |
| InChI Key: | GNCDXZFBJAXVNL-UHFFFAOYSA-N |