N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-chlorophenyl)thiourea
Chemical Structure Depiction of
N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-chlorophenyl)thiourea
N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-chlorophenyl)thiourea
Compound characteristics
| Compound ID: | K788-3393 |
| Compound Name: | N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-chlorophenyl)thiourea |
| Molecular Weight: | 498.45 |
| Molecular Formula: | C26 H22 Cl2 F N3 S |
| Smiles: | C(c1ccccc1)N(Cc1cccn1Cc1ccc(cc1[Cl])F)C(Nc1cccc(c1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 7.5681 |
| logD: | 7.5681 |
| logSw: | -6.8733 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.4983 |
| InChI Key: | UVHWJKZVDDBKPB-UHFFFAOYSA-N |