3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(pyridin-2-yl)methylidene]hydrazinyl}propanenitrile
Chemical Structure Depiction of
3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(pyridin-2-yl)methylidene]hydrazinyl}propanenitrile
3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(pyridin-2-yl)methylidene]hydrazinyl}propanenitrile
Compound characteristics
| Compound ID: | 4772-0522 |
| Compound Name: | 3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(pyridin-2-yl)methylidene]hydrazinyl}propanenitrile |
| Molecular Weight: | 339.37 |
| Molecular Formula: | C16 H13 N5 O2 S |
| Smiles: | C(CN(C1c2ccccc2S(N=1)(=O)=O)/N=C/c1ccccn1)C#N |
| Stereo: | ACHIRAL |
| logP: | 0.6847 |
| logD: | 0.6819 |
| logSw: | -2.1542 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.208 |
| InChI Key: | TVSMLVIXQRHLBY-UHFFFAOYSA-N |