N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,4-dinitrobenzamide
Chemical Structure Depiction of
N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,4-dinitrobenzamide
N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,4-dinitrobenzamide
Compound characteristics
| Compound ID: | 2548-0800 |
| Compound Name: | N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,4-dinitrobenzamide |
| Molecular Weight: | 329.27 |
| Molecular Formula: | C15 H11 N3 O6 |
| Smiles: | CC1=CC(C(C)=C\C1=N/C(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4169 |
| logD: | 2.1571 |
| logSw: | -2.8412 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 101.79 |
| InChI Key: | ATRQITUQIVOWJV-UHFFFAOYSA-N |