2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | F449-4629 |
| Compound Name: | 2-{[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl](methyl)amino}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 505.64 |
| Molecular Formula: | C25 H31 N9 O S |
| Smiles: | CC(C)(C)Nc1c(c2ccccc2)nc2n1nc(N(C)CC(N1CCN(CC1)c1ncccn1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.6622 |
| logD: | 3.6622 |
| logSw: | -3.7087 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.297 |
| InChI Key: | VLKBDCNNWANTIJ-UHFFFAOYSA-N |