methyl 4-[2-(2-bromo-5-methoxybenzamido)-3-(3-nitrophenyl)prop-2-enamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(2-bromo-5-methoxybenzamido)-3-(3-nitrophenyl)prop-2-enamido]benzoate
methyl 4-[2-(2-bromo-5-methoxybenzamido)-3-(3-nitrophenyl)prop-2-enamido]benzoate
Compound characteristics
| Compound ID: | 2628-3275 |
| Compound Name: | methyl 4-[2-(2-bromo-5-methoxybenzamido)-3-(3-nitrophenyl)prop-2-enamido]benzoate |
| Molecular Weight: | 554.35 |
| Molecular Formula: | C25 H20 Br N3 O7 |
| Smiles: | COC(c1ccc(cc1)NC(/C(=C\c1cccc(c1)[N+]([O-])=O)NC(c1cc(ccc1[Br])OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7944 |
| logD: | 4.5056 |
| logSw: | -4.6521 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.353 |
| InChI Key: | PEYKLHQYNXOHMI-UHFFFAOYSA-N |