N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-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-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C885-4756 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 494.66 |
| Molecular Formula: | C26 H34 N6 O2 S |
| Smiles: | CCCC1=CC(N2C(=N1)SC(=N2)N1CCC(CC1)C(NCCCN1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2313 |
| logD: | 2.0273 |
| logSw: | -3.3015 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.477 |
| InChI Key: | OYGVRBSPTZIXDQ-UHFFFAOYSA-N |