N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | G595-0263 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | C1CCC2=C(C1)N1C(=NC=C(C(NCCCN3CCc4ccccc4C3)=O)C1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 2.1337 |
| logD: | 0.9839 |
| logSw: | -2.6262 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.523 |
| InChI Key: | PWJMSQUGLFAGJG-UHFFFAOYSA-N |