3-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | K606-0076 |
| Compound Name: | 3-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 414.44 |
| Molecular Formula: | C19 H18 N4 O5 S |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(N1CCN(CC1)C1c2ccccc2S(N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9208 |
| logD: | 1.9208 |
| logSw: | -2.7855 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 92.667 |
| InChI Key: | CDFKSDVQQMRKMB-UHFFFAOYSA-N |