N-benzyl-N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(2,5-dimethylphenyl)thiourea
Chemical Structure Depiction of
N-benzyl-N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(2,5-dimethylphenyl)thiourea
N-benzyl-N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(2,5-dimethylphenyl)thiourea
Compound characteristics
| Compound ID: | K788-3820 |
| Compound Name: | N-benzyl-N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(2,5-dimethylphenyl)thiourea |
| Molecular Weight: | 474.07 |
| Molecular Formula: | C28 H28 Cl N3 S |
| Smiles: | Cc1ccc(C)c(c1)NC(N(Cc1ccccc1)Cc1ccc(Cc2ccccc2[Cl])[nH]1)=S |
| Stereo: | ACHIRAL |
| logP: | 7.0127 |
| logD: | 7.0127 |
| logSw: | -6.5257 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 20.0832 |
| InChI Key: | OCBLAIHFDAUBQH-UHFFFAOYSA-N |