N-(4-{3-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-N'-(4-methoxyphenyl)urea
Chemical Structure Depiction of
N-(4-{3-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-N'-(4-methoxyphenyl)urea
N-(4-{3-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-N'-(4-methoxyphenyl)urea
Compound characteristics
| Compound ID: | V027-6575 |
| Compound Name: | N-(4-{3-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-N'-(4-methoxyphenyl)urea |
| Molecular Weight: | 577.54 |
| Molecular Formula: | C30 H23 F4 N5 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)NC(Nc1ccc(cc1)n1c(c2ccc(cc2)C(F)(F)F)nc(n1)OCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8452 |
| logD: | 7.8452 |
| logSw: | -5.8606 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.764 |
| InChI Key: | PXPVZJDXINAREB-UHFFFAOYSA-N |