methyl 2-(2-cyano-3-{3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl}prop-2-enamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-cyano-3-{3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl}prop-2-enamido)benzoate
methyl 2-(2-cyano-3-{3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl}prop-2-enamido)benzoate
Compound characteristics
| Compound ID: | 8013-9646 |
| Compound Name: | methyl 2-(2-cyano-3-{3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl}prop-2-enamido)benzoate |
| Molecular Weight: | 515.78 |
| Molecular Formula: | C25 H17 Cl3 N2 O4 |
| Smiles: | COC(c1ccccc1NC(C(=C\c1cc(c(c(c1)[Cl])OCc1ccccc1[Cl])[Cl])\C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0599 |
| logD: | 5.6719 |
| logSw: | -6.3379 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.263 |
| InChI Key: | YXSLGGCIXOGEIO-UHFFFAOYSA-N |