4-amino-2-[(2-anilino-2-oxoethyl)sulfanyl]-5-cyano-3-azaspiro[5.5]undeca-2,4-diene-1-carboxamide
Chemical Structure Depiction of
4-amino-2-[(2-anilino-2-oxoethyl)sulfanyl]-5-cyano-3-azaspiro[5.5]undeca-2,4-diene-1-carboxamide
4-amino-2-[(2-anilino-2-oxoethyl)sulfanyl]-5-cyano-3-azaspiro[5.5]undeca-2,4-diene-1-carboxamide
Compound characteristics
| Compound ID: | 8012-5644 |
| Compound Name: | 4-amino-2-[(2-anilino-2-oxoethyl)sulfanyl]-5-cyano-3-azaspiro[5.5]undeca-2,4-diene-1-carboxamide |
| Molecular Weight: | 397.5 |
| Molecular Formula: | C20 H23 N5 O2 S |
| Smiles: | C1CCC2(CC1)C(C(=NC(=C2C#N)N)SCC(Nc1ccccc1)=O)C(N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3642 |
| logD: | 1.3642 |
| logSw: | -2.071 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 103.925 |
| InChI Key: | UPESHMJXDDKGOX-INIZCTEOSA-N |