methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate
Chemical Structure Depiction of
methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate
methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate
Compound characteristics
| Compound ID: | 8013-9639 |
| Compound Name: | methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate |
| Molecular Weight: | 525.79 |
| Molecular Formula: | C25 H18 Br Cl N2 O4 |
| Smiles: | COC(c1ccccc1NC(C(=C\c1ccc(c(c1)[Br])OCc1ccc(cc1)[Cl])\C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9823 |
| logD: | 4.5944 |
| logSw: | -6.2194 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.176 |
| InChI Key: | FXQXDZROSMIGAQ-UHFFFAOYSA-N |