1-[5-(benzylamino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
Chemical Structure Depiction of
1-[5-(benzylamino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
1-[5-(benzylamino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | D116-0266 |
| Compound Name: | 1-[5-(benzylamino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C23 H21 N5 O |
| Smiles: | C(Cc1ccccc1)C(n1c(NCc2ccccc2)nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5225 |
| logD: | 3.3732 |
| logSw: | -3.3359 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.217 |
| InChI Key: | GQFXWBXZJDQBSD-UHFFFAOYSA-N |