N-benzyl-N'-(3,4-dimethoxyphenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Chemical Structure Depiction of
N-benzyl-N'-(3,4-dimethoxyphenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
N-benzyl-N'-(3,4-dimethoxyphenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Compound characteristics
| Compound ID: | K788-3266 |
| Compound Name: | N-benzyl-N'-(3,4-dimethoxyphenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea |
| Molecular Weight: | 499.68 |
| Molecular Formula: | C30 H33 N3 O2 S |
| Smiles: | Cc1ccc(Cn2cccc2CN(Cc2ccccc2)C(Nc2ccc(c(c2)OC)OC)=S)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.5318 |
| logD: | 6.5318 |
| logSw: | -5.7328 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.7591 |
| InChI Key: | OZPGHBHXQQBDCC-UHFFFAOYSA-N |