methyl 6-amino-4-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-4-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
methyl 6-amino-4-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | Y500-8400 |
| Compound Name: | methyl 6-amino-4-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 440.88 |
| Molecular Formula: | C23 H21 Cl N2 O5 |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1ccc(c(COc2ccccc2[Cl])c1)OC)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4497 |
| logD: | 3.4497 |
| logSw: | -4.0667 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.811 |
| InChI Key: | QGCUKBBFFAYDIC-OAQYLSRUSA-N |