N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-(2,4-dimethoxyphenyl)urea
Chemical Structure Depiction of
N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-(2,4-dimethoxyphenyl)urea
N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-(2,4-dimethoxyphenyl)urea
Compound characteristics
| Compound ID: | Y205-3000 |
| Compound Name: | N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-(2,4-dimethoxyphenyl)urea |
| Molecular Weight: | 405.81 |
| Molecular Formula: | C18 H17 Cl F N5 O3 |
| Smiles: | COc1ccc(c(c1)OC)NC(Nc1ncn(Cc2ccc(cc2[Cl])F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9757 |
| logD: | 3.9755 |
| logSw: | -4.3974 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.24 |
| InChI Key: | PPPLPBCXRYECSO-UHFFFAOYSA-N |