N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N'-(4-fluorophenyl)-N-[(oxolan-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N'-(4-fluorophenyl)-N-[(oxolan-2-yl)methyl]thiourea
N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N'-(4-fluorophenyl)-N-[(oxolan-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | V011-0233 |
| Compound Name: | N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N'-(4-fluorophenyl)-N-[(oxolan-2-yl)methyl]thiourea |
| Molecular Weight: | 542.68 |
| Molecular Formula: | C31 H31 F N4 O2 S |
| Smiles: | C1CC(CN(Cc2c(c3ccccc3)noc2N2CCc3ccccc3C2)C(Nc2ccc(cc2)F)=S)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.01 |
| logD: | 6.01 |
| logSw: | -5.951 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.042 |
| InChI Key: | TXFQRKRIQKIQSF-HHHXNRCGSA-N |