N-benzyl-2-cyano-3-(3-methoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
N-benzyl-2-cyano-3-(3-methoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
N-benzyl-2-cyano-3-(3-methoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0023 |
| Compound Name: | N-benzyl-2-cyano-3-(3-methoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C26 H25 N3 O2 S |
| Smiles: | Cc1ccccc1CSC(=C(/C#N)C(NCc1ccccc1)=O)\Nc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.9161 |
| logD: | 5.8804 |
| logSw: | -5.471 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.943 |
| InChI Key: | ICDJIJKLBNDTIP-UHFFFAOYSA-N |