N-benzyl-N'-(4-fluorophenyl)-N-{[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl}thiourea
Chemical Structure Depiction of
N-benzyl-N'-(4-fluorophenyl)-N-{[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl}thiourea
N-benzyl-N'-(4-fluorophenyl)-N-{[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl}thiourea
Compound characteristics
| Compound ID: | V015-5676 |
| Compound Name: | N-benzyl-N'-(4-fluorophenyl)-N-{[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl}thiourea |
| Molecular Weight: | 533.64 |
| Molecular Formula: | C29 H29 F2 N5 O S |
| Salt: | not_available |
| Smiles: | CN1CCN(CC1)c1c(CN(Cc2ccccc2)C(Nc2ccc(cc2)F)=S)c(c2ccc(cc2)F)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.4381 |
| logD: | 4.059 |
| logSw: | -5.4328 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.203 |
| InChI Key: | ZLCZLXPJHSQUIJ-UHFFFAOYSA-N |