2-{[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(4-ethylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(4-ethylpiperazin-1-yl)ethan-1-one
2-{[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(4-ethylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | F449-2258 |
| Compound Name: | 2-{[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-(4-ethylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 483.68 |
| Molecular Formula: | C25 H37 N7 O S |
| Smiles: | CCc1ccc(cc1)c1c(NC(C)(C)C)n2c(n1)sc(n2)N(C)CC(N1CCN(CC)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0608 |
| logD: | 3.8846 |
| logSw: | -3.8214 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.211 |
| InChI Key: | MREJPEQRTWZRHK-UHFFFAOYSA-N |