2-{[1-cyano-4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undec-1-en-2-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[1-cyano-4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undec-1-en-2-yl]sulfanyl}-N-phenylacetamide
2-{[1-cyano-4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undec-1-en-2-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | 4088-0259 |
| Compound Name: | 2-{[1-cyano-4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undec-1-en-2-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 513.68 |
| Molecular Formula: | C28 H27 N5 O S2 |
| Smiles: | C1CCC2(CC1)C(C(=N)NC(=C2C#N)SCC(Nc1ccccc1)=O)c1nc(cs1)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3015 |
| logD: | 4.3422 |
| logSw: | -5.4806 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.692 |
| InChI Key: | DHKDQQRAHRYIJM-XMMPIXPASA-N |