N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-chloro-4-methylphenyl)thiourea
Chemical Structure Depiction of
N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-chloro-4-methylphenyl)thiourea
N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-chloro-4-methylphenyl)thiourea
Compound characteristics
| Compound ID: | K788-3386 |
| Compound Name: | N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-chloro-4-methylphenyl)thiourea |
| Molecular Weight: | 512.48 |
| Molecular Formula: | C27 H24 Cl2 F N3 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(N(Cc1ccccc1)Cc1cccn1Cc1ccc(cc1[Cl])F)=S |
| Stereo: | ACHIRAL |
| logP: | 8.2048 |
| logD: | 8.2048 |
| logSw: | -6.6207 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.4983 |
| InChI Key: | QQCRYZXYBUDEBG-UHFFFAOYSA-N |