N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-{3-[cyclohexyl(methyl)amino]propyl}-N'-[3-(trifluoromethyl)phenyl]thiourea
Chemical Structure Depiction of
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-{3-[cyclohexyl(methyl)amino]propyl}-N'-[3-(trifluoromethyl)phenyl]thiourea
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-{3-[cyclohexyl(methyl)amino]propyl}-N'-[3-(trifluoromethyl)phenyl]thiourea
Compound characteristics
| Compound ID: | K788-6368 |
| Compound Name: | N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-{3-[cyclohexyl(methyl)amino]propyl}-N'-[3-(trifluoromethyl)phenyl]thiourea |
| Molecular Weight: | 577.16 |
| Molecular Formula: | C30 H36 Cl F3 N4 S |
| Smiles: | CN(CCCN(Cc1cccn1Cc1ccc(cc1)[Cl])C(Nc1cccc(c1)C(F)(F)F)=S)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 7.9152 |
| logD: | 5.924 |
| logSw: | -6.8026 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.5143 |
| InChI Key: | BRPXHMZLWDVQRX-UHFFFAOYSA-N |