2-{4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | L532-1827 |
| Compound Name: | 2-{4-[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 495.69 |
| Molecular Formula: | C26 H37 N7 O S |
| Smiles: | CCc1ccc(cc1)c1c(NC(C)(C)C)n2c(n1)sc(n2)N1CCN(CC1)CC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5351 |
| logD: | 4.4731 |
| logSw: | -4.0193 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.079 |
| InChI Key: | OLOAWOIRJPNWOT-UHFFFAOYSA-N |