N-(2-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-2-nitro-N-phenylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-2-nitro-N-phenylbenzene-1-sulfonamide
N-(2-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-2-nitro-N-phenylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 3272-0163 |
| Compound Name: | N-(2-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-2-nitro-N-phenylbenzene-1-sulfonamide |
| Molecular Weight: | 482.47 |
| Molecular Formula: | C22 H18 N4 O7 S |
| Smiles: | C(C(N/N=C/c1ccc2c(c1)OCO2)=O)N(c1ccccc1)S(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1991 |
| logD: | 3.199 |
| logSw: | -3.6181 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.362 |
| InChI Key: | XQLQGIJCQFYXNY-UHFFFAOYSA-N |