1-[5-{[(furan-2-yl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
Chemical Structure Depiction of
1-[5-{[(furan-2-yl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
1-[5-{[(furan-2-yl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | D116-0228 |
| Compound Name: | 1-[5-{[(furan-2-yl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C21 H19 N5 O2 |
| Smiles: | C(Cc1ccccc1)C(n1c(NCc2ccco2)nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2732 |
| logD: | 3.1238 |
| logSw: | -3.1086 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.966 |
| InChI Key: | UNYFEJFQEVKDDT-UHFFFAOYSA-N |