N-cycloheptyl-N'-(3,5-difluorophenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Chemical Structure Depiction of
N-cycloheptyl-N'-(3,5-difluorophenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
N-cycloheptyl-N'-(3,5-difluorophenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Compound characteristics
Compound ID: | K788-3716 |
Compound Name: | N-cycloheptyl-N'-(3,5-difluorophenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea |
Molecular Weight: | 481.65 |
Molecular Formula: | C28 H33 F2 N3 S |
Smiles: | Cc1ccc(Cn2cccc2CN(C2CCCCCC2)C(Nc2cc(cc(c2)F)F)=S)c(C)c1 |
Stereo: | ACHIRAL |
logP: | 8.4292 |
logD: | 8.4292 |
logSw: | -5.6453 |
Hydrogen bond acceptors count: | 2 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 12.074 |
InChI Key: | ZEGKZEJJCXMYCJ-UHFFFAOYSA-N |