N-[3-(3-acetylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-5-nitrobenzamide
Chemical Structure Depiction of
N-[3-(3-acetylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-5-nitrobenzamide
N-[3-(3-acetylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-5-nitrobenzamide
Compound characteristics
| Compound ID: | 2681-3611 |
| Compound Name: | N-[3-(3-acetylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-5-nitrobenzamide |
| Molecular Weight: | 508.87 |
| Molecular Formula: | C24 H17 Cl N4 O7 |
| Smiles: | CC(c1cccc(c1)NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2967 |
| logD: | 2.5675 |
| logSw: | -4.7605 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 125.844 |
| InChI Key: | KPCMBRBBYYDXJY-UHFFFAOYSA-N |