2-(4-chlorophenoxy)-1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenoxy)-1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one
2-(4-chlorophenoxy)-1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | D116-0207 |
| Compound Name: | 2-(4-chlorophenoxy)-1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C20 H16 Cl N5 O2 S |
| Smiles: | C(c1cccs1)Nc1nc(c2cccnc2)nn1C(COc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3076 |
| logD: | 3.1582 |
| logSw: | -3.8259 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.735 |
| InChI Key: | PJWXVLXWSXLUAR-UHFFFAOYSA-N |