(2-methylphenyl)[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone
Chemical Structure Depiction of
(2-methylphenyl)[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone
(2-methylphenyl)[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone
Compound characteristics
| Compound ID: | D116-0211 |
| Compound Name: | (2-methylphenyl)[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone |
| Molecular Weight: | 375.45 |
| Molecular Formula: | C20 H17 N5 O S |
| Smiles: | Cc1ccccc1C(n1c(NCc2cccs2)nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2313 |
| logD: | 3.0819 |
| logSw: | -3.3269 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.763 |
| InChI Key: | BFYQIMFADKQINP-UHFFFAOYSA-N |