N-benzyl-N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-methylphenyl)thiourea
Chemical Structure Depiction of
N-benzyl-N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-methylphenyl)thiourea
N-benzyl-N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-methylphenyl)thiourea
Compound characteristics
| Compound ID: | K788-3818 |
| Compound Name: | N-benzyl-N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-methylphenyl)thiourea |
| Molecular Weight: | 460.04 |
| Molecular Formula: | C27 H26 Cl N3 S |
| Smiles: | Cc1cccc(c1)NC(N(Cc1ccccc1)Cc1ccc(Cc2ccccc2[Cl])[nH]1)=S |
| Stereo: | ACHIRAL |
| logP: | 6.9878 |
| logD: | 6.9878 |
| logSw: | -6.5616 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 20.781 |
| InChI Key: | ABBKOMWFWDWEBH-UHFFFAOYSA-N |