N-benzyl-N'-(3-chloro-4-methylphenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Chemical Structure Depiction of
N-benzyl-N'-(3-chloro-4-methylphenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
N-benzyl-N'-(3-chloro-4-methylphenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Compound characteristics
| Compound ID: | K788-3251 |
| Compound Name: | N-benzyl-N'-(3-chloro-4-methylphenyl)-N-({1-[(2,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea |
| Molecular Weight: | 488.09 |
| Molecular Formula: | C29 H30 Cl N3 S |
| Smiles: | Cc1ccc(Cn2cccc2CN(Cc2ccccc2)C(Nc2ccc(C)c(c2)[Cl])=S)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 8.3871 |
| logD: | 8.3871 |
| logSw: | -6.6258 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.4983 |
| InChI Key: | ORYDWHQPVVQACR-UHFFFAOYSA-N |