2-cyano-3-(3-methoxyanilino)-3-(methylsulfanyl)prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-(3-methoxyanilino)-3-(methylsulfanyl)prop-2-enamide
2-cyano-3-(3-methoxyanilino)-3-(methylsulfanyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0109 |
| Compound Name: | 2-cyano-3-(3-methoxyanilino)-3-(methylsulfanyl)prop-2-enamide |
| Molecular Weight: | 263.32 |
| Molecular Formula: | C12 H13 N3 O2 S |
| Smiles: | COc1cccc(c1)N/C(=C(/C#N)C(N)=O)SC |
| Stereo: | ACHIRAL |
| logP: | 1.6659 |
| logD: | 1.5803 |
| logSw: | -2.488 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.86 |
| InChI Key: | GBUOTUQPBABOKE-UHFFFAOYSA-N |