N'-(4-fluorophenyl)-N-{[1-(2-methylpropyl)-2-(phenylmethanesulfonyl)-1H-imidazol-5-yl]methyl}-N-[(oxolan-2-yl)methyl]thiourea
Chemical Structure Depiction of
N'-(4-fluorophenyl)-N-{[1-(2-methylpropyl)-2-(phenylmethanesulfonyl)-1H-imidazol-5-yl]methyl}-N-[(oxolan-2-yl)methyl]thiourea
N'-(4-fluorophenyl)-N-{[1-(2-methylpropyl)-2-(phenylmethanesulfonyl)-1H-imidazol-5-yl]methyl}-N-[(oxolan-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | V021-0460 |
| Compound Name: | N'-(4-fluorophenyl)-N-{[1-(2-methylpropyl)-2-(phenylmethanesulfonyl)-1H-imidazol-5-yl]methyl}-N-[(oxolan-2-yl)methyl]thiourea |
| Molecular Weight: | 544.71 |
| Molecular Formula: | C27 H33 F N4 O3 S2 |
| Salt: | not_available |
| Smiles: | CC(C)Cn1c(CN(CC2CCCO2)C(Nc2ccc(cc2)F)=S)cnc1S(Cc1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5953 |
| logD: | 4.5953 |
| logSw: | -4.1646 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.767 |
| InChI Key: | CGPKPSWKPWPEDU-RUZDIDTESA-N |