3-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}-N-cyclohexylpropanamide
Chemical Structure Depiction of
3-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}-N-cyclohexylpropanamide
3-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}-N-cyclohexylpropanamide
Compound characteristics
Compound ID: | 4772-0593 |
Compound Name: | 3-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}-N-cyclohexylpropanamide |
Molecular Weight: | 482.56 |
Molecular Formula: | C24 H26 N4 O5 S |
Smiles: | C1CCC(CC1)NC(CCN(C1c2ccccc2S(N=1)(=O)=O)/N=C/c1ccc2c(c1)OCO2)=O |
Stereo: | ACHIRAL |
logP: | 3.1395 |
logD: | 3.1395 |
logSw: | -3.6428 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 92.214 |
InChI Key: | IDQKDDTWRKCTCM-UHFFFAOYSA-N |