N-benzyl-N'-(2,5-dimethylphenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Chemical Structure Depiction of
N-benzyl-N'-(2,5-dimethylphenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
N-benzyl-N'-(2,5-dimethylphenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Compound characteristics
| Compound ID: | K788-3254 |
| Compound Name: | N-benzyl-N'-(2,5-dimethylphenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea |
| Molecular Weight: | 467.68 |
| Molecular Formula: | C30 H33 N3 S |
| Smiles: | Cc1ccc(Cn2cccc2CN(Cc2ccccc2)C(Nc2cc(C)ccc2C)=S)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.3818 |
| logD: | 7.3818 |
| logSw: | -5.7299 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 11.8004 |
| InChI Key: | JTFIBQANEIHETH-UHFFFAOYSA-N |