3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(3-methoxyanilino)prop-2-enamide
Chemical Structure Depiction of
3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(3-methoxyanilino)prop-2-enamide
3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(3-methoxyanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0113 |
| Compound Name: | 3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(3-methoxyanilino)prop-2-enamide |
| Molecular Weight: | 373.86 |
| Molecular Formula: | C18 H16 Cl N3 O2 S |
| Smiles: | COc1cccc(c1)N/C(=C(/C#N)C(N)=O)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8111 |
| logD: | 3.7979 |
| logSw: | -4.1559 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.589 |
| InChI Key: | HSGZJEGMFITFCR-UHFFFAOYSA-N |