N'-(2-cyanoethyl)-N'-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-3,5-dimethoxybenzohydrazide
Chemical Structure Depiction of
N'-(2-cyanoethyl)-N'-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-3,5-dimethoxybenzohydrazide
N'-(2-cyanoethyl)-N'-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-3,5-dimethoxybenzohydrazide
Compound characteristics
| Compound ID: | 4137-0344 |
| Compound Name: | N'-(2-cyanoethyl)-N'-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-3,5-dimethoxybenzohydrazide |
| Molecular Weight: | 414.44 |
| Molecular Formula: | C19 H18 N4 O5 S |
| Smiles: | COc1cc(cc(c1)OC)C(NN(CCC#N)C1c2ccccc2S(N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5246 |
| logD: | 1.5068 |
| logSw: | -2.6113 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.738 |
| InChI Key: | LJQJPGAWLBZXAG-UHFFFAOYSA-N |