5-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile
Chemical Structure Depiction of
5-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile
5-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8008-4447 |
| Compound Name: | 5-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C13 H10 N4 O2 S2 |
| Smiles: | CSc1c(C#N)c(N/N=C/c2ccc3c(c2)OCO3)sn1 |
| Stereo: | ACHIRAL |
| logP: | 3.4454 |
| logD: | 3.4454 |
| logSw: | -3.9036 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.946 |
| InChI Key: | YIVQGSNPKPPRIW-UHFFFAOYSA-N |