4-{5-[(adamantan-1-yl)imino]-3,3-dimethyl-4-(morpholin-4-yl)-2-sulfanylidenepyrrolidin-1-yl}benzonitrile
Chemical Structure Depiction of
4-{5-[(adamantan-1-yl)imino]-3,3-dimethyl-4-(morpholin-4-yl)-2-sulfanylidenepyrrolidin-1-yl}benzonitrile
4-{5-[(adamantan-1-yl)imino]-3,3-dimethyl-4-(morpholin-4-yl)-2-sulfanylidenepyrrolidin-1-yl}benzonitrile
Compound characteristics
| Compound ID: | F208-0333 |
| Compound Name: | 4-{5-[(adamantan-1-yl)imino]-3,3-dimethyl-4-(morpholin-4-yl)-2-sulfanylidenepyrrolidin-1-yl}benzonitrile |
| Molecular Weight: | 462.66 |
| Molecular Formula: | C27 H34 N4 O S |
| Smiles: | CC1(C)C(\C(=N/C23CC4CC(CC(C4)C3)C2)N(C1=S)c1ccc(C#N)cc1)N1CCOCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2395 |
| logD: | 5.2394 |
| logSw: | -5.1342 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.119 |
| InChI Key: | OOOAXVFFGXGIIB-GZMUKRDFSA-N |