4-({2-[3-(cyclohexylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene}methyl)phenyl acetate
Chemical Structure Depiction of
4-({2-[3-(cyclohexylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene}methyl)phenyl acetate
4-({2-[3-(cyclohexylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene}methyl)phenyl acetate
Compound characteristics
| Compound ID: | 4772-0605 |
| Compound Name: | 4-({2-[3-(cyclohexylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinylidene}methyl)phenyl acetate |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | CC(=O)Oc1ccc(/C=N/N(CCC(NC2CCCCC2)=O)C2c3ccccc3S(N=2)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5551 |
| logD: | 2.5551 |
| logSw: | -3.068 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.85 |
| InChI Key: | CSRQPBQZFVLYFH-UHFFFAOYSA-N |