N-(4-ethoxyphenyl)-4-{[2-(2-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-4-{[2-(2-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
N-(4-ethoxyphenyl)-4-{[2-(2-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | G768-1368 |
| Compound Name: | N-(4-ethoxyphenyl)-4-{[2-(2-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide |
| Molecular Weight: | 508.57 |
| Molecular Formula: | C25 H25 F N6 O3 S |
| Smiles: | CCOc1ccc(cc1)NC(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccccc1F)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9614 |
| logD: | 2.8768 |
| logSw: | -3.7221 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.404 |
| InChI Key: | XOZPEGGDVCQLPJ-UHFFFAOYSA-N |