N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C885-4628 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C24 H31 N5 O4 S |
| Smiles: | CCCC1=CC(N2C(=N1)SC(=N2)N1CCC(CC1)C(NCCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.43 |
| logD: | 2.4267 |
| logSw: | -2.8871 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.094 |
| InChI Key: | VYEFOHCLKNTHNY-UHFFFAOYSA-N |