3-({2-[3-(tert-butylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene}methyl)-4-hydroxybenzoic acid
Chemical Structure Depiction of
3-({2-[3-(tert-butylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene}methyl)-4-hydroxybenzoic acid
3-({2-[3-(tert-butylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene}methyl)-4-hydroxybenzoic acid
Compound characteristics
| Compound ID: | 5251-2277 |
| Compound Name: | 3-({2-[3-(tert-butylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene}methyl)-4-hydroxybenzoic acid |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C22 H24 N4 O6 S |
| Smiles: | CC(C)(C)NC(CCN(C1c2ccccc2S(N=1)(=O)=O)/N=C/c1cc(ccc1O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5656 |
| logD: | 0.0637 |
| logSw: | -3.0477 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.425 |
| InChI Key: | CHEATDMEJANYFL-UHFFFAOYSA-N |