ethyl 2-[(2-anilino-2-oxoethyl)sulfanyl]-5-cyano-4-oxo-3-azaspiro[5.5]undec-1-ene-1-carboxylate
Chemical Structure Depiction of
ethyl 2-[(2-anilino-2-oxoethyl)sulfanyl]-5-cyano-4-oxo-3-azaspiro[5.5]undec-1-ene-1-carboxylate
ethyl 2-[(2-anilino-2-oxoethyl)sulfanyl]-5-cyano-4-oxo-3-azaspiro[5.5]undec-1-ene-1-carboxylate
Compound characteristics
| Compound ID: | 8013-0550 |
| Compound Name: | ethyl 2-[(2-anilino-2-oxoethyl)sulfanyl]-5-cyano-4-oxo-3-azaspiro[5.5]undec-1-ene-1-carboxylate |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C22 H25 N3 O4 S |
| Smiles: | CCOC(C1=C(NC(C(C#N)C12CCCCC2)=O)SCC(Nc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0049 |
| logD: | 2.758 |
| logSw: | -3.3276 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.068 |
| InChI Key: | LMWCHQPPXJFJOQ-INIZCTEOSA-N |