(5-{[(4-methoxyphenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)(thiophen-2-yl)methanone
Chemical Structure Depiction of
(5-{[(4-methoxyphenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)(thiophen-2-yl)methanone
(5-{[(4-methoxyphenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)(thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | 6855-0139 |
| Compound Name: | (5-{[(4-methoxyphenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)(thiophen-2-yl)methanone |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C21 H18 N4 O2 S |
| Smiles: | COc1ccc(CNc2nc(c3ccccc3)nn2C(c2cccs2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2527 |
| logD: | 4.2527 |
| logSw: | -4.2781 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.789 |
| InChI Key: | WWVPZBWEXGAIPW-UHFFFAOYSA-N |