3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl}propanenitrile
Chemical Structure Depiction of
3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl}propanenitrile
3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl}propanenitrile
Compound characteristics
| Compound ID: | 4772-0633 |
| Compound Name: | 3-{1-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl}propanenitrile |
| Molecular Weight: | 373.34 |
| Molecular Formula: | C15 H11 N5 O5 S |
| Smiles: | C(CN(C1c2ccccc2S(N=1)(=O)=O)/N=C/c1ccc([N+]([O-])=O)o1)C#N |
| Stereo: | ACHIRAL |
| logP: | 0.874 |
| logD: | 0.874 |
| logSw: | -2.2738 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 110.496 |
| InChI Key: | BHFWXAFMZSWMOA-UHFFFAOYSA-N |