methyl 4-[2-(5-bromo-2-methoxybenzamido)-3-(4-nitrophenyl)prop-2-enamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(5-bromo-2-methoxybenzamido)-3-(4-nitrophenyl)prop-2-enamido]benzoate
methyl 4-[2-(5-bromo-2-methoxybenzamido)-3-(4-nitrophenyl)prop-2-enamido]benzoate
Compound characteristics
| Compound ID: | 2681-3568 |
| Compound Name: | methyl 4-[2-(5-bromo-2-methoxybenzamido)-3-(4-nitrophenyl)prop-2-enamido]benzoate |
| Molecular Weight: | 554.35 |
| Molecular Formula: | C25 H20 Br N3 O7 |
| Smiles: | COC(c1ccc(cc1)NC(/C(=C/c1ccc(cc1)[N+]([O-])=O)NC(c1cc(ccc1OC)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1518 |
| logD: | 3.4891 |
| logSw: | -5.1902 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.44 |
| InChI Key: | QLHJHNKSFKCGQA-UHFFFAOYSA-N |