N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(3-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(3-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(3-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | F149-0781 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(3-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C24 H30 N6 O2 S |
| Smiles: | CC1CCCN(C1)C1=NN2C(=CC(N=C2S1)=O)C(NCCCN1CCc2ccccc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.739 |
| logD: | 1.5892 |
| logSw: | -3.2343 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.846 |
| InChI Key: | NFMBJUJVGQIHSU-KRWDZBQOSA-N |