4-({2-[3-(cyclohexylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene}methyl)-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-({2-[3-(cyclohexylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene}methyl)-2-methoxyphenyl acetate
4-({2-[3-(cyclohexylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene}methyl)-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 4772-0601 |
| Compound Name: | 4-({2-[3-(cyclohexylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene}methyl)-2-methoxyphenyl acetate |
| Molecular Weight: | 526.61 |
| Molecular Formula: | C26 H30 N4 O6 S |
| Smiles: | CC(=O)Oc1ccc(/C=N/N(CCC(NC2CCCCC2)=O)C2c3ccccc3S(N=2)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.7548 |
| logD: | 2.7548 |
| logSw: | -3.5689 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.566 |
| InChI Key: | DTXUZUBDIMDKBR-UHFFFAOYSA-N |