N-(3-chloro-4-fluorophenyl)-N'-{1-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}thiourea
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N'-{1-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}thiourea
N-(3-chloro-4-fluorophenyl)-N'-{1-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}thiourea
Compound characteristics
| Compound ID: | Y500-4671 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N'-{1-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}thiourea |
| Molecular Weight: | 379.82 |
| Molecular Formula: | C16 H12 Cl F2 N5 S |
| Smiles: | C(c1cccc(c1)F)n1cnc(NC(Nc2ccc(c(c2)[Cl])F)=S)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.388 |
| logD: | 4.3874 |
| logSw: | -4.4704 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.283 |
| InChI Key: | SGTTZICSUQDZBQ-UHFFFAOYSA-N |