N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(trifluoromethyl)phenyl]thiourea
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(trifluoromethyl)phenyl]thiourea
N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(trifluoromethyl)phenyl]thiourea
Compound characteristics
| Compound ID: | K788-3418 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(trifluoromethyl)phenyl]thiourea |
| Molecular Weight: | 556.09 |
| Molecular Formula: | C30 H29 Cl F3 N3 S |
| Smiles: | Cc1ccc(Cn2cccc2CN(CCc2ccc(cc2)[Cl])C(Nc2cccc(c2)C(F)(F)F)=S)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 8.9165 |
| logD: | 8.9165 |
| logSw: | -6.7139 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.4767 |
| InChI Key: | XQUFMAHLTMCDHZ-UHFFFAOYSA-N |