N-[5-(2-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]butanamide
Chemical Structure Depiction of
N-[5-(2-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]butanamide
N-[5-(2-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]butanamide
Compound characteristics
| Compound ID: | 1067-0486 |
| Compound Name: | N-[5-(2-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]butanamide |
| Molecular Weight: | 420.4 |
| Molecular Formula: | C16 H16 N6 O6 S |
| Smiles: | CCCC(Nc1nnc(CC(N/N=C/c2cc3c(cc2[N+]([O-])=O)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1511 |
| logD: | 2.1218 |
| logSw: | -2.8631 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 132.726 |
| InChI Key: | CLKPQELKTOZPEC-UHFFFAOYSA-N |