4-{2'-[(adamantan-1-yl)imino]-4',4'-dimethyl-5'-sulfanylidene[1,3'-bipyrrolidin]-1'-yl}benzonitrile
Chemical Structure Depiction of
4-{2'-[(adamantan-1-yl)imino]-4',4'-dimethyl-5'-sulfanylidene[1,3'-bipyrrolidin]-1'-yl}benzonitrile
4-{2'-[(adamantan-1-yl)imino]-4',4'-dimethyl-5'-sulfanylidene[1,3'-bipyrrolidin]-1'-yl}benzonitrile
Compound characteristics
| Compound ID: | F208-0261 |
| Compound Name: | 4-{2'-[(adamantan-1-yl)imino]-4',4'-dimethyl-5'-sulfanylidene[1,3'-bipyrrolidin]-1'-yl}benzonitrile |
| Molecular Weight: | 446.66 |
| Molecular Formula: | C27 H34 N4 S |
| Smiles: | CC1(C)C(\C(=N/C23CC4CC(CC(C4)C3)C2)N(C1=S)c1ccc(C#N)cc1)N1CCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8053 |
| logD: | 5.8035 |
| logSw: | -5.6421 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.5764 |
| InChI Key: | DATKXTKVNMQNCR-GZMUKRDFSA-N |