4-amino-5-cyano-2-(methylsulfanyl)-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide
Chemical Structure Depiction of
4-amino-5-cyano-2-(methylsulfanyl)-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide
4-amino-5-cyano-2-(methylsulfanyl)-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide
Compound characteristics
| Compound ID: | 8011-9473 |
| Compound Name: | 4-amino-5-cyano-2-(methylsulfanyl)-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide |
| Molecular Weight: | 278.37 |
| Molecular Formula: | C13 H18 N4 O S |
| Smiles: | CSC1=C(C(N)=O)C2(CCCCC2)C(C#N)=C(N)N1 |
| Stereo: | ACHIRAL |
| logP: | 0.8833 |
| logD: | 0.7868 |
| logSw: | -1.606 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 83.026 |
| InChI Key: | YYJPHEHNPVMBKD-UHFFFAOYSA-N |