N-(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-4-methylbenzamide
Chemical Structure Depiction of
N-(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-4-methylbenzamide
N-(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-4-methylbenzamide
Compound characteristics
| Compound ID: | 8101-0052 |
| Compound Name: | N-(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-4-methylbenzamide |
| Molecular Weight: | 314.36 |
| Molecular Formula: | C15 H14 N4 O2 S |
| Smiles: | CCC1=NN2C(=NC=C(C2=O)NC(c2ccc(C)cc2)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.2357 |
| logD: | 1.067 |
| logSw: | -2.7553 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.749 |
| InChI Key: | YRVBMTSYQBCUIZ-UHFFFAOYSA-N |