4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzonitrile
Chemical Structure Depiction of
4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzonitrile
4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzonitrile
Compound characteristics
| Compound ID: | D257-0704 |
| Compound Name: | 4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzonitrile |
| Molecular Weight: | 283.31 |
| Molecular Formula: | C14 H9 N3 O2 S |
| Smiles: | C(c1ccc(cc1)NC1c2ccccc2S(N=1)(=O)=O)#N |
| Stereo: | ACHIRAL |
| logP: | 1.8998 |
| logD: | 1.4568 |
| logSw: | -2.7244 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.901 |
| InChI Key: | UQHYIHGNNNJQEN-UHFFFAOYSA-N |