N-(3-chloro-2-methylphenyl)-N'-{[2-(4-methoxyphenyl)-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-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea
N-(3-chloro-2-methylphenyl)-N'-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea
Compound characteristics
| Compound ID: | F524-0307 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-N'-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea |
| Molecular Weight: | 455.92 |
| Molecular Formula: | C21 H18 Cl N5 O3 S |
| Smiles: | Cc1c(cccc1[Cl])NC(NCC1=CC(N2C(=N1)SC(c1ccc(cc1)OC)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7919 |
| logD: | 3.7912 |
| logSw: | -4.3089 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.742 |
| InChI Key: | IZUCQXCGNAANOG-UHFFFAOYSA-N |