2-(2-cyanoanilino)-2-oxoethyl N-benzoylmethioninate
Chemical Structure Depiction of
2-(2-cyanoanilino)-2-oxoethyl N-benzoylmethioninate
2-(2-cyanoanilino)-2-oxoethyl N-benzoylmethioninate
Compound characteristics
| Compound ID: | 8009-1315 |
| Compound Name: | 2-(2-cyanoanilino)-2-oxoethyl N-benzoylmethioninate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | CSCCC(C(=O)OCC(Nc1ccccc1C#N)=O)NC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0955 |
| logD: | 2.0945 |
| logSw: | -3.155 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.919 |
| InChI Key: | QJMUEAWHRUBDHP-SFHVURJKSA-N |