7-{[4-(1H-imidazole-4-sulfonyl)piperazin-1-yl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(1H-imidazole-4-sulfonyl)piperazin-1-yl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(1H-imidazole-4-sulfonyl)piperazin-1-yl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0133 |
| Compound Name: | 7-{[4-(1H-imidazole-4-sulfonyl)piperazin-1-yl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 471.56 |
| Molecular Formula: | C20 H21 N7 O3 S2 |
| Smiles: | Cc1cccc(c1)C1=NN2C(=NC(CN3CCN(CC3)S(c3c[nH]cn3)(=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 1.1876 |
| logD: | 1.1855 |
| logSw: | -2.4623 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.595 |
| InChI Key: | HVLUAPFWXJJGAR-UHFFFAOYSA-N |