N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-{3-[cyclohexyl(methyl)amino]propyl}-N'-(3,5-difluorophenyl)thiourea
Chemical Structure Depiction of
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-{3-[cyclohexyl(methyl)amino]propyl}-N'-(3,5-difluorophenyl)thiourea
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-{3-[cyclohexyl(methyl)amino]propyl}-N'-(3,5-difluorophenyl)thiourea
Compound characteristics
| Compound ID: | K788-6367 |
| Compound Name: | N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-{3-[cyclohexyl(methyl)amino]propyl}-N'-(3,5-difluorophenyl)thiourea |
| Molecular Weight: | 545.14 |
| Molecular Formula: | C29 H35 Cl F2 N4 S |
| Smiles: | CN(CCCN(Cc1cccn1Cc1ccc(cc1)[Cl])C(Nc1cc(cc(c1)F)F)=S)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 7.3343 |
| logD: | 5.3432 |
| logSw: | -6.6077 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.5143 |
| InChI Key: | NNNJXZBSVUYLBF-UHFFFAOYSA-N |