N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-4-ethoxybenzamide
Chemical Structure Depiction of
N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-4-ethoxybenzamide
N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-4-ethoxybenzamide
Compound characteristics
| Compound ID: | F527-0672 |
| Compound Name: | N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-4-ethoxybenzamide |
| Molecular Weight: | 440.91 |
| Molecular Formula: | C21 H17 Cl N4 O3 S |
| Smiles: | CCOc1ccc(cc1)C(NCC1=CC(N2C(=N1)SC(c1ccccc1[Cl])=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5822 |
| logD: | 3.5819 |
| logSw: | -3.9743 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.808 |
| InChI Key: | NCVPICVQCHKYMC-UHFFFAOYSA-N |