2-methyl-7-{[5-(4-methylphenyl)-4H-1,2,4-triazole-3-sulfonyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-methyl-7-{[5-(4-methylphenyl)-4H-1,2,4-triazole-3-sulfonyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-methyl-7-{[5-(4-methylphenyl)-4H-1,2,4-triazole-3-sulfonyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G200-0006 |
| Compound Name: | 2-methyl-7-{[5-(4-methylphenyl)-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: | CC1=NN2C(=NC(CS(c3nnc(c4ccc(C)cc4)[nH]3)(=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 1.5074 |
| logD: | -2.0591 |
| logSw: | -2.3927 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.815 |
| InChI Key: | FTXWGZMWINFEMH-UHFFFAOYSA-N |