4-{5-[(4-chlorophenyl)imino]-3,3-dimethyl-4-(4-methylpiperazin-1-yl)-2-sulfanylidenepyrrolidin-1-yl}benzonitrile
Chemical Structure Depiction of
4-{5-[(4-chlorophenyl)imino]-3,3-dimethyl-4-(4-methylpiperazin-1-yl)-2-sulfanylidenepyrrolidin-1-yl}benzonitrile
4-{5-[(4-chlorophenyl)imino]-3,3-dimethyl-4-(4-methylpiperazin-1-yl)-2-sulfanylidenepyrrolidin-1-yl}benzonitrile
Compound characteristics
| Compound ID: | F208-0443 |
| Compound Name: | 4-{5-[(4-chlorophenyl)imino]-3,3-dimethyl-4-(4-methylpiperazin-1-yl)-2-sulfanylidenepyrrolidin-1-yl}benzonitrile |
| Molecular Weight: | 452.02 |
| Molecular Formula: | C24 H26 Cl N5 S |
| Smiles: | CC1(C)C(\C(=N/c2ccc(cc2)[Cl])N(C1=S)c1ccc(C#N)cc1)N1CCN(C)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4955 |
| logD: | 4.2958 |
| logSw: | -4.7549 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 32.669 |
| InChI Key: | BLXZSAQDKCZXDE-OAQYLSRUSA-N |