[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](4-methylphenyl)methanone
Chemical Structure Depiction of
[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](4-methylphenyl)methanone
[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](4-methylphenyl)methanone
Compound characteristics
| Compound ID: | D116-0308 |
| Compound Name: | [5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](4-methylphenyl)methanone |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C23 H21 N5 O2 |
| Smiles: | Cc1ccc(cc1)C(n1c(NCc2ccc(cc2)OC)nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4121 |
| logD: | 3.2627 |
| logSw: | -3.2935 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.289 |
| InChI Key: | CJLRZWXMRHSHJR-UHFFFAOYSA-N |