3-phenyl-1-[5-({[4-(propan-2-yl)phenyl]methyl}amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]prop-2-en-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-phenyl-1-[5-({[4-(propan-2-yl)phenyl]methyl}amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]prop-2-en-1-one--hydrogen chloride (1/1)
3-phenyl-1-[5-({[4-(propan-2-yl)phenyl]methyl}amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]prop-2-en-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F019-3141 |
| Compound Name: | 3-phenyl-1-[5-({[4-(propan-2-yl)phenyl]methyl}amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]prop-2-en-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 459.98 |
| Molecular Formula: | C26 H25 N5 O |
| Salt: | HCl |
| Smiles: | CC(C)c1ccc(CNc2nc(c3cccnc3)nn2C(/C=C/c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7956 |
| logD: | 4.6462 |
| logSw: | -4.2407 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.217 |
| InChI Key: | OTHPTIFLZNLTGD-NTCAYCPXSA-N |