3-({4-[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl}methyl)benzonitrile
Chemical Structure Depiction of
3-({4-[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl}methyl)benzonitrile
3-({4-[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | L532-1967 |
| Compound Name: | 3-({4-[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl}methyl)benzonitrile |
| Molecular Weight: | 489.62 |
| Molecular Formula: | C26 H28 F N7 S |
| Smiles: | CC(C)(C)Nc1c(c2ccc(cc2)F)nc2n1nc(N1CCN(CC1)Cc1cccc(C#N)c1)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.8738 |
| logD: | 4.8634 |
| logSw: | -4.6267 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.377 |
| InChI Key: | MRQGEDZSPYJWTE-UHFFFAOYSA-N |