N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N'-(4-fluorophenyl)-N-[(furan-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-[(furan-2-yl)methyl]thiourea
N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N'-(4-fluorophenyl)-N-[(furan-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | V008-3488 |
| Compound Name: | N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N'-(4-fluorophenyl)-N-[(furan-2-yl)methyl]thiourea |
| Molecular Weight: | 538.64 |
| Molecular Formula: | C31 H27 F N4 O2 S |
| Smiles: | C1CN(Cc2ccccc12)c1c(CN(Cc2ccco2)C(Nc2ccc(cc2)F)=S)c(c2ccccc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 6.8207 |
| logD: | 6.8207 |
| logSw: | -6.2828 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.137 |
| InChI Key: | BBCIZSIBBKHSRV-UHFFFAOYSA-N |