1-(4-{[2-(4-chlorophenyl)-7-nitroimidazo[2,1-b][1,3]benzothiazol-3-yl]methyl}piperazin-1-yl)-3,3-dimethylbutan-1-one
Chemical Structure Depiction of
1-(4-{[2-(4-chlorophenyl)-7-nitroimidazo[2,1-b][1,3]benzothiazol-3-yl]methyl}piperazin-1-yl)-3,3-dimethylbutan-1-one
1-(4-{[2-(4-chlorophenyl)-7-nitroimidazo[2,1-b][1,3]benzothiazol-3-yl]methyl}piperazin-1-yl)-3,3-dimethylbutan-1-one
Compound characteristics
| Compound ID: | V015-4275 |
| Compound Name: | 1-(4-{[2-(4-chlorophenyl)-7-nitroimidazo[2,1-b][1,3]benzothiazol-3-yl]methyl}piperazin-1-yl)-3,3-dimethylbutan-1-one |
| Molecular Weight: | 526.06 |
| Molecular Formula: | C26 H28 Cl N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)CC(N1CCN(CC1)Cc1c(c2ccc(cc2)[Cl])nc2n1c1ccc(cc1s2)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.544 |
| logD: | 5.5353 |
| logSw: | -6.0042 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.067 |
| InChI Key: | SPOQZXGBQBVPHR-UHFFFAOYSA-N |