N-[3-(methylsulfanyl)phenyl]-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
N-[3-(methylsulfanyl)phenyl]-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C885-4674 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C21 H25 N5 O2 S2 |
| Smiles: | CCCC1=CC(N2C(=N1)SC(=N2)N1CCC(CC1)C(Nc1cccc(c1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5115 |
| logD: | 3.5082 |
| logSw: | -3.7246 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.669 |
| InChI Key: | LMOHTTICUXXFJX-UHFFFAOYSA-N |