N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-difluorophenyl)-N-{3-[methyl(phenyl)amino]propyl}thiourea
Chemical Structure Depiction of
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-difluorophenyl)-N-{3-[methyl(phenyl)amino]propyl}thiourea
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-difluorophenyl)-N-{3-[methyl(phenyl)amino]propyl}thiourea
Compound characteristics
Compound ID: | K788-6112 |
Compound Name: | N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-difluorophenyl)-N-{3-[methyl(phenyl)amino]propyl}thiourea |
Molecular Weight: | 539.09 |
Molecular Formula: | C29 H29 Cl F2 N4 S |
Smiles: | CN(CCCN(Cc1cccn1Cc1ccc(cc1)[Cl])C(Nc1cc(cc(c1)F)F)=S)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 7.1332 |
logD: | 7.1297 |
logSw: | -6.523 |
Hydrogen bond acceptors count: | 2 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 15.6812 |
InChI Key: | FNNUUKKSUZOKKM-UHFFFAOYSA-N |