(4-tert-butylphenyl)[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone
Chemical Structure Depiction of
(4-tert-butylphenyl)[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone
(4-tert-butylphenyl)[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone
Compound characteristics
| Compound ID: | D116-0210 |
| Compound Name: | (4-tert-butylphenyl)[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C23 H23 N5 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(n1c(NCc2cccs2)nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7758 |
| logD: | 4.6265 |
| logSw: | -4.294 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.763 |
| InChI Key: | ZUVBBMZZHHACFY-UHFFFAOYSA-N |