3-{2-[(6-chloro-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-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}-N-cyclohexylpropanamide
3-{2-[(6-chloro-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: | 4772-0609 |
| Compound Name: | 3-{2-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)hydrazinyl}-N-cyclohexylpropanamide |
| Molecular Weight: | 517 |
| Molecular Formula: | C24 H25 Cl N4 O5 S |
| Smiles: | C1CCC(CC1)NC(CCN(C1c2ccccc2S(N=1)(=O)=O)/N=C/c1cc2c(cc1[Cl])OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7569 |
| logD: | 3.7569 |
| logSw: | -4.2962 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.214 |
| InChI Key: | XMYQIRLQMAGYAY-UHFFFAOYSA-N |