4-{5-[(adamantan-1-yl)imino]-3,3-dimethyl-4-(piperidin-1-yl)-2-sulfanylidenepyrrolidin-1-yl}benzonitrile
Chemical Structure Depiction of
4-{5-[(adamantan-1-yl)imino]-3,3-dimethyl-4-(piperidin-1-yl)-2-sulfanylidenepyrrolidin-1-yl}benzonitrile
4-{5-[(adamantan-1-yl)imino]-3,3-dimethyl-4-(piperidin-1-yl)-2-sulfanylidenepyrrolidin-1-yl}benzonitrile
Compound characteristics
| Compound ID: | F208-0297 |
| Compound Name: | 4-{5-[(adamantan-1-yl)imino]-3,3-dimethyl-4-(piperidin-1-yl)-2-sulfanylidenepyrrolidin-1-yl}benzonitrile |
| Molecular Weight: | 460.68 |
| Molecular Formula: | C28 H36 N4 S |
| Smiles: | CC1(C)C(\C(=N/C23CC4CC(CC(C4)C3)C2)N(C1=S)c1ccc(C#N)cc1)N1CCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2385 |
| logD: | 6.2378 |
| logSw: | -5.6461 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.2104 |
| InChI Key: | BTZSJKUSTXDSJT-SZBWURDLSA-N |