3-{2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}-N-tert-butylpropanamide
Chemical Structure Depiction of
3-{2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}-N-tert-butylpropanamide
3-{2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}-N-tert-butylpropanamide
Compound characteristics
| Compound ID: | 5097-4493 |
| Compound Name: | 3-{2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}-N-tert-butylpropanamide |
| Molecular Weight: | 552.4 |
| Molecular Formula: | C21 H22 Br N5 O6 S |
| Smiles: | CC(C)(C)NC(CCN(C1c2ccccc2S(N=1)(=O)=O)/N=C/c1cc(cc(c1O)[Br])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3064 |
| logD: | 1.8116 |
| logSw: | -3.7857 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.329 |
| InChI Key: | GSBVBKUUNDYZRX-UHFFFAOYSA-N |