N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N~2~-methyl-N~2~-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)glycinamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N~2~-methyl-N~2~-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)glycinamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N~2~-methyl-N~2~-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)glycinamide
Compound characteristics
| Compound ID: | C885-4472 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N~2~-methyl-N~2~-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)glycinamide |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C23 H30 N6 O2 S |
| Smiles: | CCCC1=CC(N2C(=N1)SC(=N2)N(C)CC(NCCCN1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4807 |
| logD: | 1.2767 |
| logSw: | -2.7743 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.037 |
| InChI Key: | OXRFHAHDGBAICN-UHFFFAOYSA-N |