2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(3-methoxypropyl)-5-{[4-(methylsulfanyl)phenyl]carbamamido}benzamide
Chemical Structure Depiction of
2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(3-methoxypropyl)-5-{[4-(methylsulfanyl)phenyl]carbamamido}benzamide
2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(3-methoxypropyl)-5-{[4-(methylsulfanyl)phenyl]carbamamido}benzamide
Compound characteristics
| Compound ID: | V011-2978 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(3-methoxypropyl)-5-{[4-(methylsulfanyl)phenyl]carbamamido}benzamide |
| Molecular Weight: | 504.65 |
| Molecular Formula: | C28 H32 N4 O3 S |
| Salt: | not_available |
| Smiles: | COCCCNC(c1cc(ccc1N1CCc2ccccc2C1)NC(Nc1ccc(cc1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8515 |
| logD: | 5.8515 |
| logSw: | -5.4153 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.224 |
| InChI Key: | HXHLODBTEPKSFN-UHFFFAOYSA-N |