N-(3-chloro-2-methylphenyl)-N'-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-N'-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea
N-(3-chloro-2-methylphenyl)-N'-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea
Compound characteristics
| Compound ID: | F524-0169 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-N'-{[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C21 H18 Cl N5 O2 S |
| Smiles: | Cc1ccc(cc1)C1=NN2C(=NC(CNC(Nc3cccc(c3C)[Cl])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.2329 |
| logD: | 4.229 |
| logSw: | -4.4208 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.198 |
| InChI Key: | NHJZIRZTCJMDBS-UHFFFAOYSA-N |