2-{[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(4-phenylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(4-phenylpiperazin-1-yl)ethan-1-one
2-{[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(4-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | F449-1825 |
| Compound Name: | 2-{[5-(tert-butylamino)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 517.7 |
| Molecular Formula: | C28 H35 N7 O S |
| Smiles: | Cc1cccc(c1)c1c(NC(C)(C)C)n2c(n1)sc(n2)N(C)CC(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0602 |
| logD: | 5.0601 |
| logSw: | -4.6461 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.935 |
| InChI Key: | HQUNJCROVNAZPX-UHFFFAOYSA-N |