methyl 4-[2-(2-chloro-4-fluorobenzamido)-3-(3-nitrophenyl)prop-2-enamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(2-chloro-4-fluorobenzamido)-3-(3-nitrophenyl)prop-2-enamido]benzoate
methyl 4-[2-(2-chloro-4-fluorobenzamido)-3-(3-nitrophenyl)prop-2-enamido]benzoate
Compound characteristics
| Compound ID: | 2681-3525 |
| Compound Name: | methyl 4-[2-(2-chloro-4-fluorobenzamido)-3-(3-nitrophenyl)prop-2-enamido]benzoate |
| Molecular Weight: | 497.87 |
| Molecular Formula: | C24 H17 Cl F N3 O6 |
| Smiles: | COC(c1ccc(cc1)NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1ccc(cc1[Cl])F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8412 |
| logD: | 3.3059 |
| logSw: | -5.113 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.81 |
| InChI Key: | IRVXBTJKNQTMBV-UHFFFAOYSA-N |