N-benzyl-N'-(2,6-dimethylphenyl)-N-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Chemical Structure Depiction of
N-benzyl-N'-(2,6-dimethylphenyl)-N-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
N-benzyl-N'-(2,6-dimethylphenyl)-N-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Compound characteristics
| Compound ID: | K788-4885 |
| Compound Name: | N-benzyl-N'-(2,6-dimethylphenyl)-N-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea |
| Molecular Weight: | 457.61 |
| Molecular Formula: | C28 H28 F N3 S |
| Smiles: | Cc1cccc(C)c1NC(N(Cc1ccccc1)Cc1cccn1Cc1ccccc1F)=S |
| Stereo: | ACHIRAL |
| logP: | 6.5767 |
| logD: | 6.5767 |
| logSw: | -5.9576 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 11.1026 |
| InChI Key: | PEUFAVXTPRBWLZ-UHFFFAOYSA-N |