1-(5-{[(4-methoxyphenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)butan-1-one
Chemical Structure Depiction of
1-(5-{[(4-methoxyphenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)butan-1-one
1-(5-{[(4-methoxyphenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)butan-1-one
Compound characteristics
| Compound ID: | 6855-0111 |
| Compound Name: | 1-(5-{[(4-methoxyphenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)butan-1-one |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C20 H22 N4 O2 |
| Smiles: | CCCC(n1c(NCc2ccc(cc2)OC)nc(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.004 |
| logD: | 4.004 |
| logSw: | -4.1 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.515 |
| InChI Key: | ZZBDBWGCCSAWCG-UHFFFAOYSA-N |