2-{[1-cyano-4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undec-1-en-2-yl]sulfanyl}-N-(quinolin-8-yl)acetamide
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-(quinolin-8-yl)acetamide
2-{[1-cyano-4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undec-1-en-2-yl]sulfanyl}-N-(quinolin-8-yl)acetamide
Compound characteristics
| Compound ID: | 4088-0268 |
| 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-(quinolin-8-yl)acetamide |
| Molecular Weight: | 564.73 |
| Molecular Formula: | C31 H28 N6 O S2 |
| Smiles: | C1CCC2(CC1)C(C(=N)NC(=C2C#N)SCC(Nc1cccc2cccnc12)=O)c1nc(cs1)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6412 |
| logD: | 4.6819 |
| logSw: | -6.0681 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.527 |
| InChI Key: | HMBFNHHXXZETDP-AREMUKBSSA-N |