N-(4-methylphenyl)-N'-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea
Chemical Structure Depiction of
N-(4-methylphenyl)-N'-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea
N-(4-methylphenyl)-N'-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea
Compound characteristics
| Compound ID: | F524-0048 |
| Compound Name: | N-(4-methylphenyl)-N'-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C21 H19 N5 O2 S |
| Smiles: | Cc1ccc(cc1)NC(NCC1=CC(N2C(=N1)SC(c1ccccc1C)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.658 |
| logD: | 3.6575 |
| logSw: | -3.9476 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.896 |
| InChI Key: | IQLWFDIFNOOGDI-UHFFFAOYSA-N |