N-benzyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(2,4,6-trimethylphenyl)thiourea
Chemical Structure Depiction of
N-benzyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(2,4,6-trimethylphenyl)thiourea
N-benzyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(2,4,6-trimethylphenyl)thiourea
Compound characteristics
| Compound ID: | K788-3242 |
| Compound Name: | N-benzyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(2,4,6-trimethylphenyl)thiourea |
| Molecular Weight: | 481.7 |
| Molecular Formula: | C31 H35 N3 S |
| Smiles: | Cc1ccc(Cn2cccc2CN(Cc2ccccc2)C(Nc2c(C)cc(C)cc2C)=S)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.672 |
| logD: | 7.672 |
| logSw: | -5.751 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 11.1026 |
| InChI Key: | XXOFZYJSEIXVTC-UHFFFAOYSA-N |