7-propyl-2-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-propyl-2-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-propyl-2-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C885-4827 |
| Compound Name: | 7-propyl-2-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 468.58 |
| Molecular Formula: | C22 H28 N8 O2 S |
| Smiles: | CCCC1=CC(N2C(=N1)SC(=N2)N1CCC(CC1)C(N1CCN(CC1)c1ncccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4524 |
| logD: | 2.4492 |
| logSw: | -2.241 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.849 |
| InChI Key: | SPZPBJOTFCEPSY-UHFFFAOYSA-N |