2-(4-bromophenoxy)-N-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)pentanamide
Chemical Structure Depiction of
2-(4-bromophenoxy)-N-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)pentanamide
2-(4-bromophenoxy)-N-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)pentanamide
Compound characteristics
| Compound ID: | K608-0114 |
| Compound Name: | 2-(4-bromophenoxy)-N-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)pentanamide |
| Molecular Weight: | 489.36 |
| Molecular Formula: | C17 H17 Br N2 O6 S2 |
| Smiles: | CCCC(C(NN1S(c2ccccc2S1(=O)=O)(=O)=O)=O)Oc1ccc(cc1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2085 |
| logD: | 3.2084 |
| logSw: | -3.4199 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.725 |
| InChI Key: | OVVHPDDRMGRZOM-AWEZNQCLSA-N |