N-(2-methoxy-4-nitrophenyl)-N'-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)urea
Chemical Structure Depiction of
N-(2-methoxy-4-nitrophenyl)-N'-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)urea
N-(2-methoxy-4-nitrophenyl)-N'-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)urea
Compound characteristics
| Compound ID: | Y207-2341 |
| Compound Name: | N-(2-methoxy-4-nitrophenyl)-N'-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)urea |
| Molecular Weight: | 436.35 |
| Molecular Formula: | C18 H15 F3 N6 O4 |
| Smiles: | COc1cc(ccc1NC(Nc1ncn(Cc2cccc(c2)C(F)(F)F)n1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9091 |
| logD: | 3.9067 |
| logSw: | -4.1537 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.077 |
| InChI Key: | GCRQUAWDDYOOIJ-UHFFFAOYSA-N |