N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N-[2-(dimethylamino)ethyl]-N'-(4-fluorophenyl)thiourea
Chemical Structure Depiction of
N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N-[2-(dimethylamino)ethyl]-N'-(4-fluorophenyl)thiourea
N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N-[2-(dimethylamino)ethyl]-N'-(4-fluorophenyl)thiourea
Compound characteristics
| Compound ID: | V001-6842 |
| Compound Name: | N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N-[2-(dimethylamino)ethyl]-N'-(4-fluorophenyl)thiourea |
| Molecular Weight: | 529.68 |
| Molecular Formula: | C30 H32 F N5 O S |
| Salt: | not_available |
| Smiles: | CN(C)CCN(Cc1c(c2ccccc2)noc1N1CCc2ccccc2C1)C(Nc1ccc(cc1)F)=S |
| Stereo: | ACHIRAL |
| logP: | 5.8507 |
| logD: | 3.5026 |
| logSw: | -5.6259 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.504 |
| InChI Key: | DLGOOMMTFLFPHS-UHFFFAOYSA-N |