methyl {1-[2-({[4-(1H-1,2,4-triazol-1-yl)phenyl]methyl}amino)-1,3-thiazole-4-carbonyl]piperidin-4-yl}acetate
Chemical Structure Depiction of
methyl {1-[2-({[4-(1H-1,2,4-triazol-1-yl)phenyl]methyl}amino)-1,3-thiazole-4-carbonyl]piperidin-4-yl}acetate
methyl {1-[2-({[4-(1H-1,2,4-triazol-1-yl)phenyl]methyl}amino)-1,3-thiazole-4-carbonyl]piperidin-4-yl}acetate
Compound characteristics
| Compound ID: | Y041-0562 |
| Compound Name: | methyl {1-[2-({[4-(1H-1,2,4-triazol-1-yl)phenyl]methyl}amino)-1,3-thiazole-4-carbonyl]piperidin-4-yl}acetate |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C21 H24 N6 O3 S |
| Smiles: | COC(CC1CCN(CC1)C(c1csc(NCc2ccc(cc2)n2cncn2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2493 |
| logD: | 2.2493 |
| logSw: | -2.6018 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.575 |
| InChI Key: | JEWGCCQWPFGVKI-UHFFFAOYSA-N |