N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea
N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | F524-0322 |
| Compound Name: | N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C21 H19 N5 O3 S2 |
| Smiles: | COc1ccc(cc1)C1=NN2C(=NC(CNC(Nc3cccc(c3)SC)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.4445 |
| logD: | 3.4439 |
| logSw: | -3.8911 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.44 |
| InChI Key: | RZCICRFYPHMDGL-UHFFFAOYSA-N |