2-{[1-(adamantan-1-yl)ethyl]amino}-2-oxoethyl N'-cyano-N-phenylcarbamimidothioate
Chemical Structure Depiction of
2-{[1-(adamantan-1-yl)ethyl]amino}-2-oxoethyl N'-cyano-N-phenylcarbamimidothioate
2-{[1-(adamantan-1-yl)ethyl]amino}-2-oxoethyl N'-cyano-N-phenylcarbamimidothioate
Compound characteristics
| Compound ID: | 4478-7305 |
| Compound Name: | 2-{[1-(adamantan-1-yl)ethyl]amino}-2-oxoethyl N'-cyano-N-phenylcarbamimidothioate |
| Molecular Weight: | 396.55 |
| Molecular Formula: | C22 H28 N4 O S |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)NC(CSC(\Nc1ccccc1)=N/C#N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2162 |
| logD: | 4.2155 |
| logSw: | -4.1945 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.419 |
| InChI Key: | VMWFGIYEFFZTRH-BZSISCHUSA-N |