N-[3-(4-chloro-3-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-methylbenzamide
Chemical Structure Depiction of
N-[3-(4-chloro-3-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-methylbenzamide
N-[3-(4-chloro-3-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-methylbenzamide
Compound characteristics
| Compound ID: | 2681-3473 |
| Compound Name: | N-[3-(4-chloro-3-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-methylbenzamide |
| Molecular Weight: | 480.86 |
| Molecular Formula: | C23 H17 Cl N4 O6 |
| Smiles: | Cc1cccc(c1)C(NC(=C/c1ccc(cc1)[N+]([O-])=O)\C(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8467 |
| logD: | 3.3142 |
| logSw: | -5.1032 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.716 |
| InChI Key: | IXXACACDVMKGOX-UHFFFAOYSA-N |