2-(4-methylphenyl)-7-{[4-(2-phenoxypropanoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(4-methylphenyl)-7-{[4-(2-phenoxypropanoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(4-methylphenyl)-7-{[4-(2-phenoxypropanoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0253 |
| Compound Name: | 2-(4-methylphenyl)-7-{[4-(2-phenoxypropanoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 489.6 |
| Molecular Formula: | C26 H27 N5 O3 S |
| Smiles: | CC(C(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccc(C)cc1)=N2)=O)=O)Oc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1319 |
| logD: | 3.1215 |
| logSw: | -3.1579 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.248 |
| InChI Key: | IPKTXVMDWAPPDP-IBGZPJMESA-N |