N-benzyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(methylsulfanyl)phenyl]thiourea
Chemical Structure Depiction of
N-benzyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(methylsulfanyl)phenyl]thiourea
N-benzyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(methylsulfanyl)phenyl]thiourea
Compound characteristics
| Compound ID: | K788-3256 |
| Compound Name: | N-benzyl-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(methylsulfanyl)phenyl]thiourea |
| Molecular Weight: | 485.71 |
| Molecular Formula: | C29 H31 N3 S2 |
| Smiles: | Cc1ccc(Cn2cccc2CN(Cc2ccccc2)C(Nc2cccc(c2)SC)=S)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.4579 |
| logD: | 7.4579 |
| logSw: | -5.799 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.4983 |
| InChI Key: | QLXSPIMOYWYUHM-UHFFFAOYSA-N |