N-benzyl-N-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(2,6-dimethylphenyl)thiourea
Chemical Structure Depiction of
N-benzyl-N-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(2,6-dimethylphenyl)thiourea
N-benzyl-N-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(2,6-dimethylphenyl)thiourea
Compound characteristics
| Compound ID: | K788-3824 |
| Compound Name: | N-benzyl-N-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(2,6-dimethylphenyl)thiourea |
| Molecular Weight: | 474.07 |
| Molecular Formula: | C28 H28 Cl N3 S |
| Smiles: | Cc1cccc(C)c1NC(N(Cc1ccccc1)Cc1cccn1Cc1cccc(c1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 6.9272 |
| logD: | 6.9272 |
| logSw: | -6.4597 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 11.1026 |
| InChI Key: | MLDPUYRQBMXDIR-UHFFFAOYSA-N |