methyl 6-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
methyl 6-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | Y501-4535 |
| Compound Name: | methyl 6-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 454.97 |
| Molecular Formula: | C24 H23 Cl N2 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1cc(CSc2ccc(cc2)[Cl])c(C)cc1C)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.493 |
| logD: | 5.493 |
| logSw: | -5.9004 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.595 |
| InChI Key: | MVIKBCWWWKTBQK-JOCHJYFZSA-N |