2-{[4-amino-1-cyano-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undeca-1,4-dien-2-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[4-amino-1-cyano-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undeca-1,4-dien-2-yl]sulfanyl}-N-phenylacetamide
2-{[4-amino-1-cyano-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undeca-1,4-dien-2-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | 8010-7937 |
| Compound Name: | 2-{[4-amino-1-cyano-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undeca-1,4-dien-2-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 513.68 |
| Molecular Formula: | C28 H27 N5 O S2 |
| Smiles: | C1CCC2(CC1)C(C#N)=C(NC(=C2c1nc(cs1)c1ccccc1)N)SCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7181 |
| logD: | 5.7181 |
| logSw: | -5.6811 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 81.307 |
| InChI Key: | HJDKELSYCPEFME-UHFFFAOYSA-N |