1-(4-tert-butylbenzoyl)-N-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
1-(4-tert-butylbenzoyl)-N-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)piperidine-3-carboxamide
1-(4-tert-butylbenzoyl)-N-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | K608-0144 |
| Compound Name: | 1-(4-tert-butylbenzoyl)-N-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)piperidine-3-carboxamide |
| Molecular Weight: | 505.61 |
| Molecular Formula: | C23 H27 N3 O6 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(N1CCCC(C1)C(NN1S(c2ccccc2S1(=O)=O)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6324 |
| logD: | 2.6323 |
| logSw: | -2.9874 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.635 |
| InChI Key: | XIFJOFAKQCUWGJ-KRWDZBQOSA-N |