N-{[4-(methylsulfanyl)phenyl]methyl}-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
N-{[4-(methylsulfanyl)phenyl]methyl}-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C885-4840 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 457.62 |
| Molecular Formula: | C22 H27 N5 O2 S2 |
| Smiles: | CCCC1=CC(N2C(=N1)SC(=N2)N1CCC(CC1)C(NCc1ccc(cc1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4587 |
| logD: | 3.4554 |
| logSw: | -3.6016 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.991 |
| InChI Key: | JJPBXIAKFSUAKQ-UHFFFAOYSA-N |