N-butyl-N'-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)thiourea
Chemical Structure Depiction of
N-butyl-N'-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)thiourea
N-butyl-N'-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)thiourea
Compound characteristics
| Compound ID: | Y509-5725 |
| Compound Name: | N-butyl-N'-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)thiourea |
| Molecular Weight: | 357.4 |
| Molecular Formula: | C15 H18 F3 N5 S |
| Smiles: | CCCCNC(Nc1ncn(Cc2cccc(c2)C(F)(F)F)n1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.6402 |
| logD: | 3.6395 |
| logSw: | -3.8688 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.718 |
| InChI Key: | MTJKACPYISFJEP-UHFFFAOYSA-N |