(3,4-dimethoxyphenyl)[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone
Chemical Structure Depiction of
(3,4-dimethoxyphenyl)[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone
(3,4-dimethoxyphenyl)[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone
Compound characteristics
| Compound ID: | D116-0196 |
| Compound Name: | (3,4-dimethoxyphenyl)[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone |
| Molecular Weight: | 421.48 |
| Molecular Formula: | C21 H19 N5 O3 S |
| Smiles: | COc1ccc(cc1OC)C(n1c(NCc2cccs2)nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5215 |
| logD: | 2.3721 |
| logSw: | -2.6035 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.024 |
| InChI Key: | IPEODRHNIXIJPL-UHFFFAOYSA-N |