2-ethyl-7-[(5-phenyl-4H-1,2,4-triazole-3-sulfonyl)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-ethyl-7-[(5-phenyl-4H-1,2,4-triazole-3-sulfonyl)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-ethyl-7-[(5-phenyl-4H-1,2,4-triazole-3-sulfonyl)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G200-0071 |
| Compound Name: | 2-ethyl-7-[(5-phenyl-4H-1,2,4-triazole-3-sulfonyl)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C16 H14 N6 O3 S2 |
| Smiles: | CCC1=NN2C(=NC(CS(c3nnc(c4ccccc4)[nH]3)(=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 1.3503 |
| logD: | -2.2324 |
| logSw: | -2.3173 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.545 |
| InChI Key: | HJUIUVIQZQZYLI-UHFFFAOYSA-N |