3-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}-N-tert-butylpropanamide
Chemical Structure Depiction of
3-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}-N-tert-butylpropanamide
3-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}-N-tert-butylpropanamide
Compound characteristics
| Compound ID: | 4772-0467 |
| Compound Name: | 3-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}-N-tert-butylpropanamide |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C22 H24 N4 O5 S |
| Smiles: | CC(C)(C)NC(CCN(C1c2ccccc2S(N=1)(=O)=O)/N=C/c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5054 |
| logD: | 2.5054 |
| logSw: | -3.1407 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.584 |
| InChI Key: | HVNWLOYZEYSZBB-UHFFFAOYSA-N |