2-(4-methylphenyl)-7-{[4-(propane-1-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(4-methylphenyl)-7-{[4-(propane-1-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(4-methylphenyl)-7-{[4-(propane-1-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0141 |
| Compound Name: | 2-(4-methylphenyl)-7-{[4-(propane-1-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 447.58 |
| Molecular Formula: | C20 H25 N5 O3 S2 |
| Smiles: | CCCS(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccc(C)cc1)=N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9866 |
| logD: | 1.9828 |
| logSw: | -2.4659 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.688 |
| InChI Key: | NVRXTDSEMSDAFW-UHFFFAOYSA-N |