N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-difluorophenyl)-N-(2-phenylethyl)thiourea
Chemical Structure Depiction of
N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-difluorophenyl)-N-(2-phenylethyl)thiourea
N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-difluorophenyl)-N-(2-phenylethyl)thiourea
Compound characteristics
| Compound ID: | K788-3699 |
| Compound Name: | N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-difluorophenyl)-N-(2-phenylethyl)thiourea |
| Molecular Weight: | 514.01 |
| Molecular Formula: | C27 H23 Cl F3 N3 S |
| Smiles: | C(CN(Cc1cccn1Cc1ccc(cc1[Cl])F)C(Nc1cc(cc(c1)F)F)=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.5585 |
| logD: | 7.5584 |
| logSw: | -6.893 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.4767 |
| InChI Key: | YNKIGWLLSFAVGS-UHFFFAOYSA-N |