3-chloro-N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
3-chloro-N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
3-chloro-N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2681-3585 |
| Compound Name: | 3-chloro-N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 496.86 |
| Molecular Formula: | C23 H17 Cl N4 O7 |
| Smiles: | COc1cc(ccc1NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1cccc(c1)[Cl])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7601 |
| logD: | 3.2667 |
| logSw: | -5.0658 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.95 |
| InChI Key: | RQLPHXVTZBOHDQ-UHFFFAOYSA-N |