1-[5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]-2-phenylbutan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]-2-phenylbutan-1-one
1-[5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]-2-phenylbutan-1-one
Compound characteristics
| Compound ID: | D481-2057 |
| Compound Name: | 1-[5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]-2-phenylbutan-1-one |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C19 H20 N4 O2 |
| Smiles: | CCC(C(n1c(N)nc(c2ccc(cc2)OC)n1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5004 |
| logD: | 3.4997 |
| logSw: | -3.5651 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.391 |
| InChI Key: | WJQAGNMCOHGLRP-MRXNPFEDSA-N |