N-(1-[4-(dimethylamino)phenyl]-3-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl)benzamide
Chemical Structure Depiction of
N-(1-[4-(dimethylamino)phenyl]-3-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl)benzamide
N-(1-[4-(dimethylamino)phenyl]-3-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl)benzamide
Compound characteristics
| Compound ID: | 1936-2320 |
| Compound Name: | N-(1-[4-(dimethylamino)phenyl]-3-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl)benzamide |
| Molecular Weight: | 501.5 |
| Molecular Formula: | C26 H23 N5 O6 |
| Smiles: | CN(C)c1ccc(/C=C(/C(N/N=C/c2cc3c(cc2[N+]([O-])=O)OCO3)=O)NC(c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1502 |
| logD: | 2.2761 |
| logSw: | -4.3028 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.48 |
| InChI Key: | DCVKALKZVBZPQA-UHFFFAOYSA-N |