4-({2-[3-(tert-butylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene}methyl)phenyl acetate
Chemical Structure Depiction of
4-({2-[3-(tert-butylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene}methyl)phenyl acetate
4-({2-[3-(tert-butylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene}methyl)phenyl acetate
Compound characteristics
| Compound ID: | 4772-0503 |
| Compound Name: | 4-({2-[3-(tert-butylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene}methyl)phenyl acetate |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C23 H26 N4 O5 S |
| Smiles: | CC(=O)Oc1ccc(/C=N/N(CCC(NC(C)(C)C)=O)C2c3ccccc3S(N=2)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9209 |
| logD: | 1.9209 |
| logSw: | -2.8857 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.219 |
| InChI Key: | YVOVAALIIYFJJE-UHFFFAOYSA-N |