N-[(2-chlorophenyl)methyl]-2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxamide
N-[(2-chlorophenyl)methyl]-2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | K781-3626 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxamide |
| Molecular Weight: | 471.96 |
| Molecular Formula: | C23 H22 Cl N3 O4 S |
| Smiles: | COc1ccc(c(c1)OC)NC(CSc1c(cccn1)C(NCc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9919 |
| logD: | 3.9918 |
| logSw: | -4.3637 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.185 |
| InChI Key: | RCOHLOGTNBQMCL-UHFFFAOYSA-N |