N-[2-(dimethylamino)ethyl]-N'-(4-fluorophenyl)-N-{[1-(2-methylpropyl)-2-(phenylmethanesulfonyl)-1H-imidazol-5-yl]methyl}thiourea
Chemical Structure Depiction of
N-[2-(dimethylamino)ethyl]-N'-(4-fluorophenyl)-N-{[1-(2-methylpropyl)-2-(phenylmethanesulfonyl)-1H-imidazol-5-yl]methyl}thiourea
N-[2-(dimethylamino)ethyl]-N'-(4-fluorophenyl)-N-{[1-(2-methylpropyl)-2-(phenylmethanesulfonyl)-1H-imidazol-5-yl]methyl}thiourea
Compound characteristics
| Compound ID: | V021-0424 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-N'-(4-fluorophenyl)-N-{[1-(2-methylpropyl)-2-(phenylmethanesulfonyl)-1H-imidazol-5-yl]methyl}thiourea |
| Molecular Weight: | 531.71 |
| Molecular Formula: | C26 H34 F N5 O2 S2 |
| Salt: | not_available |
| Smiles: | CC(C)Cn1c(CN(CCN(C)C)C(Nc2ccc(cc2)F)=S)cnc1S(Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4361 |
| logD: | 1.755 |
| logSw: | -4.0243 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.228 |
| InChI Key: | YAGZTPJFPGNNQI-UHFFFAOYSA-N |