N-cycloheptyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(trifluoromethyl)phenyl]thiourea
Chemical Structure Depiction of
N-cycloheptyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(trifluoromethyl)phenyl]thiourea
N-cycloheptyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(trifluoromethyl)phenyl]thiourea
Compound characteristics
Compound ID: | K788-3720 |
Compound Name: | N-cycloheptyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(trifluoromethyl)phenyl]thiourea |
Molecular Weight: | 513.67 |
Molecular Formula: | C29 H34 F3 N3 S |
Smiles: | Cc1ccc(Cn2cccc2CN(C2CCCCCC2)C(Nc2cccc(c2)C(F)(F)F)=S)c(C)c1 |
Stereo: | ACHIRAL |
logP: | 9.0101 |
logD: | 9.0101 |
logSw: | -5.7944 |
Hydrogen bond acceptors count: | 2 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 12.074 |
InChI Key: | KQIITMNVIQZOEP-UHFFFAOYSA-N |