1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethan-1-one
1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8009-6579 |
| Compound Name: | 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 306.34 |
| Molecular Formula: | C13 H14 N4 O3 S |
| Smiles: | CC(N1CCN(CC1)c1nc2ccc(cc2s1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.368 |
| logD: | 2.368 |
| logSw: | -2.7445 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.803 |
| InChI Key: | PLWOASAEQXPWOP-UHFFFAOYSA-N |