2-chloro-N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide
2-chloro-N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide
Compound characteristics
| Compound ID: | 2733-3721 |
| Compound Name: | 2-chloro-N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide |
| Molecular Weight: | 541.86 |
| Molecular Formula: | C23 H16 Cl N5 O9 |
| Smiles: | COc1cc(ccc1NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5695 |
| logD: | 3.0761 |
| logSw: | -4.7612 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 152.331 |
| InChI Key: | LAXCPHDJDSBNAS-UHFFFAOYSA-N |