3-{[2-(1H-benzimidazol-2-yl)ethyl]sulfanyl}-1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
Chemical Structure Depiction of
3-{[2-(1H-benzimidazol-2-yl)ethyl]sulfanyl}-1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
3-{[2-(1H-benzimidazol-2-yl)ethyl]sulfanyl}-1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
Compound characteristics
Compound ID: | 8016-0848 |
Compound Name: | 3-{[2-(1H-benzimidazol-2-yl)ethyl]sulfanyl}-1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione |
Molecular Weight: | 453.87 |
Molecular Formula: | C20 H15 Cl F3 N3 O2 S |
Smiles: | C(CSC1CC(N(C1=O)c1ccc(c(c1)C(F)(F)F)[Cl])=O)c1nc2ccccc2[nH]1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.9107 |
logD: | 3.9104 |
logSw: | -4.4936 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.439 |
InChI Key: | KPDUAGSIDDPJTP-MRXNPFEDSA-N |