4-ethoxy-N-{[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
Chemical Structure Depiction of
4-ethoxy-N-{[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
4-ethoxy-N-{[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
Compound characteristics
| Compound ID: | F527-0247 |
| Compound Name: | 4-ethoxy-N-{[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | CCOc1ccc(cc1)C(NCC1=CC(N2C(=N1)SC(c1cccc(C)c1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5143 |
| logD: | 3.5132 |
| logSw: | -3.6602 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.808 |
| InChI Key: | WADFLCQFPKJWSE-UHFFFAOYSA-N |