N-[5-(2-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
Chemical Structure Depiction of
N-[5-(2-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
N-[5-(2-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
Compound characteristics
| Compound ID: | 1067-0339 |
| Compound Name: | N-[5-(2-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C20 H17 N5 O4 S |
| Smiles: | Cc1cccc(c1)C(Nc1nnc(CC(N/N=C/c2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3626 |
| logD: | 2.5872 |
| logSw: | -3.5488 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.588 |
| InChI Key: | XKBORHGLVSYYJC-UHFFFAOYSA-N |