methyl 2-({[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 2-({[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}carbamamido)benzoate
methyl 2-({[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | F524-0154 |
| Compound Name: | methyl 2-({[2-(4-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}carbamamido)benzoate |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | Cc1ccc(cc1)C1=NN2C(=NC(CNC(Nc3ccccc3C(=O)OC)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.1501 |
| logD: | 3.1447 |
| logSw: | -3.5524 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.372 |
| InChI Key: | FZZJIFQEMWDEPR-UHFFFAOYSA-N |