[5-(benzylamino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](3,4-dimethoxyphenyl)methanone
Chemical Structure Depiction of
[5-(benzylamino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](3,4-dimethoxyphenyl)methanone
[5-(benzylamino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](3,4-dimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | D116-0272 |
| Compound Name: | [5-(benzylamino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](3,4-dimethoxyphenyl)methanone |
| Molecular Weight: | 415.45 |
| Molecular Formula: | C23 H21 N5 O3 |
| Smiles: | COc1ccc(cc1OC)C(n1c(NCc2ccccc2)nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5465 |
| logD: | 2.3971 |
| logSw: | -2.755 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.006 |
| InChI Key: | FBKITJUUISLMTI-UHFFFAOYSA-N |