methyl ({3-cyano-4-(furan-2-yl)-6-methyl-5-[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({3-cyano-4-(furan-2-yl)-6-methyl-5-[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-2-yl}sulfanyl)acetate
methyl ({3-cyano-4-(furan-2-yl)-6-methyl-5-[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 8011-7489 |
| Compound Name: | methyl ({3-cyano-4-(furan-2-yl)-6-methyl-5-[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(=O)OC)c1ccco1)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8104 |
| logD: | 1.9694 |
| logSw: | -3.211 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.653 |
| InChI Key: | UCSPXGYEJIXIMT-HXUWFJFHSA-N |