N-(3-chloro-4-methylphenyl)-2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
N-(3-chloro-4-methylphenyl)-2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 5543-0075 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 501.99 |
| Molecular Formula: | C24 H24 Cl N3 O5 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=C(C#N)C(CC(N1)=O)c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.06 |
| logD: | 4.0045 |
| logSw: | -4.3964 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.043 |
| InChI Key: | PSWLFGCBCSDYTI-MRXNPFEDSA-N |