N-[3-(4-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-4-methoxybenzamide
Chemical Structure Depiction of
N-[3-(4-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-4-methoxybenzamide
N-[3-(4-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-4-methoxybenzamide
Compound characteristics
| Compound ID: | 2628-3193 |
| Compound Name: | N-[3-(4-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-4-methoxybenzamide |
| Molecular Weight: | 530.76 |
| Molecular Formula: | C23 H17 Br Cl N3 O5 |
| Smiles: | COc1ccc(C(NC(=C\c2cccc(c2)[N+]([O-])=O)\C(Nc2ccc(cc2)[Br])=O)=O)c(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5383 |
| logD: | 5.0757 |
| logSw: | -6.1579 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.179 |
| InChI Key: | YRCRWOBGCOQWAZ-UHFFFAOYSA-N |