2-(4-chlorophenyl)-7-{[4-(1H-imidazole-4-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-7-{[4-(1H-imidazole-4-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(4-chlorophenyl)-7-{[4-(1H-imidazole-4-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0273 |
| Compound Name: | 2-(4-chlorophenyl)-7-{[4-(1H-imidazole-4-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 491.98 |
| Molecular Formula: | C19 H18 Cl N7 O3 S2 |
| Smiles: | C1CN(CCN1CC1=CC(N2C(=N1)SC(c1ccc(cc1)[Cl])=N2)=O)S(c1c[nH]cn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.437 |
| logD: | 1.435 |
| logSw: | -2.8754 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.595 |
| InChI Key: | XJANRJDOTUPYRO-UHFFFAOYSA-N |