2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Chemical Structure Depiction of
2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8009-9323 |
| Compound Name: | 2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile |
| Molecular Weight: | 423.58 |
| Molecular Formula: | C24 H29 N3 O2 S |
| Smiles: | C1CCC2(CC1)C(C#N)C(NC(=C2C#N)SCC(C12CC3CC(CC(C3)C2)C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4871 |
| logD: | 4.4653 |
| logSw: | -4.2074 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.501 |
| InChI Key: | VHPREMPLSVOCHG-WMVQRKQLSA-N |