methyl 2-(2-cyano-3-{4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}prop-2-enamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-cyano-3-{4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}prop-2-enamido)benzoate
methyl 2-(2-cyano-3-{4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}prop-2-enamido)benzoate
Compound characteristics
| Compound ID: | 8013-9648 |
| Compound Name: | methyl 2-(2-cyano-3-{4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}prop-2-enamido)benzoate |
| Molecular Weight: | 460.46 |
| Molecular Formula: | C26 H21 F N2 O5 |
| Smiles: | COC(c1ccccc1NC(C(=C\c1ccc(c(c1)OC)OCc1ccc(cc1)F)\C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6394 |
| logD: | 3.2514 |
| logSw: | -4.7769 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.807 |
| InChI Key: | PPBZHPVYTNYUJF-UHFFFAOYSA-N |